| CAS Number | 1629268-00-3 |
| Catalog Number | AG01E2JY |
| Chemical Name | 1-[3-[4-[2-[[4-Chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl]amino]acetyl]-1-piperazinyl]-1-azetidinyl]-2-propen-1-one |
| IUPAC Name | 1-[3-[4-[2-[4-chloro-2-hydroxy-5-(1-methylcyclopropyl)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one |
| InChI | InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3 |
| InChI Key | IPFOCHMOYUMURK-UHFFFAOYSA-N |
| MDL Number | MFCD30532658 |
| Molecular Formula | C22H29ClN4O3 |
| Molecular Weight | 432.9437 |
| SMILES | CC1(c2cc(NCC(=O)N3CCN(CC3)C3CN(C3)C(=O)C=C)c(cc2Cl)O)CC1 |
| Synonyms | 1-(3-(4-((4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)glycyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one,
ARS853,
ARS-853,
1629268-00-3,
ARS853,
SCHEMBL16117872,
ARS 853,
BCP17042,
EX-A1689,
ARS-853 (ARS853),
s8156,
AKOS032944976,
CS-6065,
AK685577,
HY-19706,
1-(3-(4-((4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)glycyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one,
1-(3-(4-(2-((4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)amino)acetyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one,
IPFOCHMOYUMURK-UHFFFAOYSA-N,
1-[3-[4-[2-[[4-Chloranyl-5-(1-Methylcyclopropyl)-2-Oxidanyl-Phenyl]amino]ethanoyl]piperazin-1-Yl]azetidin-1-Yl]prop-2-En-1-One,
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| Complexity | 671 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 432.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.949g/mol |
| Monoisotopic Mass | 432.193g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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