AG00ABJV

170364-57-5 | Enzastaurin (LY317615)

AG00ABJV

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CAS Number	170364-57-5
Catalog Number	AG00ABJV(AGN-PC-0Q9O70)
Chemical Name	Enzastaurin (LY317615)
IUPAC Name	3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
InChI	InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
InChI Key	AXRCEOKUDYDWLF-UHFFFAOYSA-N
MDL Number	MFCD11040980
Molecular Formula	C32H29N5O2
Molecular Weight	515.6050
SMILES	O=C(C(C1=CN(C)C2=C1C=CC=C2)=C3C4=CN(C5CCN(CC6=NC=CC=C6)CC5)C7=C4C=CC=C7)NC3=O
UNII	UC96G28EQF
Synonyms	enzastaurin, LY317615.HCl, Enzastaurin, 170364-57-5, LY317615, Enzastaurin (LY317615), 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, LY-317615, UNII-UC96G28EQF, UC96G28EQF, 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione, CHEMBL300138, AK-60903, DSSTox_CID_24029, DSSTox_RID_80101, DSSTox_GSID_44029, C32H29N5O2, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione, Enzastaurin [INN], CAS-170364-57-5, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione, LE-0014, PubChem24445, Enzastaurin,LY317615, Enzastaurin/LY317615, AC1L41YQ, Enzastaurin; LY317615, LY317615 - Enzastaurin, SCHEMBL678748, GTPL5693, DTXSID5044029, CHEBI:91368, CTK4D3565, BCPP000241, HMS3265M05, HMS3265M06, HMS3265N05, HMS3265N06, HMS3654A13, BCP02703, EX-A1055, ZINC1494900, Tox21_113367, ABP000244, ABP000991, ANW-46758, BDBM50128285, MFCD11040980, s1055, AKOS015994764, Tox21_113367_1, AC-5900, AN-5292, API0005201, BCP9000648, CS-0132, RL02191, SB16481, KS-0000062R, NCGC00238452-01, NCGC00238452-02, NCGC00238452-03, 4CA-0790, AJ-26352, BC657905, HY-10342, SC-85687, AX8168625, ST2404687, TC-135503, FT-0667873, SW219797-1, W3715, EC-000.2315, W-5459, 364E575, J-510442, BRD-K79404599-001-01-0, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmet, 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-, 1H-Pyrrole-2,5-dione,3-(1-methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-, 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione, 3-(1-methylindol-3-yl)-4-[1-[1-(2-pyridylmethyl)-4-piperidyl]indol-3-yl]pyrrole-2,5-dione, D0I6VU, Enzastaurin(LY317615), LY317615, Enzastaurin, cc-575, 2-Fluoro-5-hydroxybenzonitrile, LY317615.HCl, CID176167, LY 317615, A10356, C504878, Enzastaurin, 98%, a potent PKCbeta selective inhibitor - 10MG 10mg,

Complexity	974
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	515.232g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	515.617g/mol
Monoisotopic Mass	515.232g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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