General Information of the Compound
| Compound ID |
CP0374711
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| Compound Name |
(5bR,9aR)-1,10-Dimethyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
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| Structure |
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| Formula |
C18H19F3N2O
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| Molecular Weight |
336.357
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| Canonical SMILES |
CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N2O/c1-22-14-6-4-3-5-10(14)11-7-12-13(18(19,20)21)8-17(24)23(2)16(12)9-15(11)22/h7-10,14H,3-6H2,1-2H3/t10-,14-/m1/s1
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| InChIKey |
MCZDFWOPLACFDA-QMTHXVAHSA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor