General Information of the Compound
| Compound ID |
CP0449258
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| Compound Name |
(5bR,9aS)-9,9-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 |
CC1(C)CCC[C@H]2[C@@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N2O/c1-17(2)5-3-4-9-10-6-11-12(18(19,20)21)7-15(24)22-14(11)8-13(10)23-16(9)17/h6-9,16,23H,3-5H2,1-2H3,(H,22,24)/t9-,16+/m1/s1
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| InChIKey |
NAVDQABRJNDCJC-ABKXIKBNSA-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