General Information of the Compound
| Compound ID |
CP0456560
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| Compound Name |
2-benzyl-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
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| Structure |
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| Formula |
C24H25F3N2
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| Molecular Weight |
398.472
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| Canonical SMILES |
CC1C2CN(Cc3ccccc3)CCC2Cc2[nH]c3ccc(cc3c12)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N2/c1-15-20-14-29(13-16-5-3-2-4-6-16)10-9-17(20)11-22-23(15)19-12-18(24(25,26)27)7-8-21(19)28-22/h2-8,12,15,17,20,28H,9-11,13-14H2,1H3
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| InChIKey |
AJMLLQGJLSFTSX-UHFFFAOYSA-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