General Information of the Compound
| Compound ID |
CP0566850
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| Compound Name |
(2R)-2-[(4aS,5R,8R,8aS)-5-methyl-1-phenyl-4,4a,5,6,7,8,8a,9-octahydrobenzo[f]indazol-8-yl]-N-(4-chloro-3-pyridin-2-ylphenyl)propanamide
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| Structure |
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| Formula |
C32H33ClN4O
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| Molecular Weight |
525.096
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3cnn(c3C[C@H]12)-c1ccccc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C32H33ClN4O/c1-20-11-13-25(27-18-31-22(16-26(20)27)19-35-37(31)24-8-4-3-5-9-24)21(2)32(38)36-23-12-14-29(33)28(17-23)30-10-6-7-15-34-30/h3-10,12,14-15,17,19-21,25-27H,11,13,16,18H2,1-2H3,(H,36,38)/t20-,21-,25+,26+,27-/m1/s1
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| InChIKey |
YESYYUXNJQLDGA-RDQZFCRKSA-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