General Information of the Compound
| Compound ID |
CP0566849
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| Compound Name |
(2R)-2-[(6aS,7R,10R,10aS)-5,10-dimethyl-6,6a,7,8,9,10,10a,11-octahydrobenzo[b]carbazol-7-yl]-N-(4-chloro-3-pyridin-2-ylphenyl)propanamide
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| Structure |
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| Formula |
C32H34ClN3O
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| Molecular Weight |
512.097
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3c(C[C@H]12)n(C)c1ccccc31)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C32H34ClN3O/c1-19-11-13-22(25-18-31-26(17-24(19)25)23-8-4-5-10-30(23)36(31)3)20(2)32(37)35-21-12-14-28(33)27(16-21)29-9-6-7-15-34-29/h4-10,12,14-16,19-20,22,24-25H,11,13,17-18H2,1-3H3,(H,35,37)/t19-,20-,22+,24+,25-/m1/s1
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| InChIKey |
RXVLUIAXECSAFS-NGQKKBAQSA-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