General Information of the Compound
| Compound ID |
CP0579034
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| Compound Name |
2-[4,7-dichloro-6-[4-(4-cyclopropylpiperazin-1-yl)phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C31H29Cl2FN8OS
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| Molecular Weight |
651.599
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| Canonical SMILES |
F[C@@H]1Cc2c(ncn2C1)C(C(=O)Nc1nccs1)n1cc2c(Cl)cc(-c3ccc(cc3)N3CCN(CC3)C3CC3)c(Cl)c2n1
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| InChI |
InChI=1S/C31H29Cl2FN8OS/c32-24-14-22(18-1-3-20(4-2-18)39-8-10-40(11-9-39)21-5-6-21)26(33)27-23(24)16-42(38-27)29(30(43)37-31-35-7-12-44-31)28-25-13-19(34)15-41(25)17-36-28/h1-4,7,12,14,16-17,19,21,29H,5-6,8-11,13,15H2,(H,35,37,43)/t19-,29?/m1/s1
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| InChIKey |
MINSHXJSQFGWCQ-COBFLCELSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound