General Information of the Compound
Compound ID |
CP0402619
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Compound Name |
(5bR,9aR)-1-Methyl-10-propyl-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 |
C20H23F3N2O
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Molecular Weight |
364.411
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Canonical SMILES |
CCCN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
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InChI |
InChI=1S/C20H23F3N2O/c1-3-8-25-16-7-5-4-6-12(16)13-9-14-15(20(21,22)23)10-19(26)24(2)17(14)11-18(13)25/h9-12,16H,3-8H2,1-2H3/t12-,16-/m1/s1
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InChIKey |
LBZVKDVSMIHVGK-MLGOLLRUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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