General Information of the Compound
| Compound ID |
CP0377494
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| Compound Name |
(5bR,9aR)-1-Methyl-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 |
C17H17F3N2O
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| Molecular Weight |
322.33
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| Canonical SMILES |
Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N2O/c1-22-15-8-14-10(9-4-2-3-5-13(9)21-14)6-11(15)12(7-16(22)23)17(18,19)20/h6-9,13,21H,2-5H2,1H3/t9-,13-/m1/s1
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| InChIKey |
YXFRGFFRCABTFT-NOZJJQNGSA-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