General Information of the Compound
| Compound ID |
CP0454739
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| Compound Name |
(5bR,9aR)-1,5b,10-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 |
CN1[C@@H]2CCCC[C@]2(C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N2O/c1-18-7-5-4-6-16(18)23(2)15-10-14-11(8-13(15)18)12(19(20,21)22)9-17(25)24(14)3/h8-10,16H,4-7H2,1-3H3/t16-,18-/m1/s1
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| InChIKey |
SVYMWVFRYNHWFN-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