General Information of the Compound
| Compound ID |
CP0375432
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| Compound Name |
(5bR,9aR)-5b,9,9-Trimethyl-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 |
C19H21F3N2O
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| Molecular Weight |
350.384
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| Canonical SMILES |
C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
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| InChIKey |
CMHJMUZTXMDMKL-SJLPKXTDSA-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