General Information of the Compound
| Compound ID |
CP0522151
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| Compound Name |
11-methyl-2-(2-phenylethyl)-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 |
C25H27F3N2
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| Molecular Weight |
412.499
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| Canonical SMILES |
CC1C2CN(CCc3ccccc3)CCC2Cc2[nH]c3ccc(cc3c12)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N2/c1-16-21-15-30(11-9-17-5-3-2-4-6-17)12-10-18(21)13-23-24(16)20-14-19(25(26,27)28)7-8-22(20)29-23/h2-8,14,16,18,21,29H,9-13,15H2,1H3
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| InChIKey |
MEFBNOXISJBUAP-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