General Information of the Compound
| Compound ID |
CP0387341
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| Compound Name |
4-[(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]benzoic acid
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| Structure |
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| Formula |
C25H22N2O2
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| Molecular Weight |
382.463
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| Canonical SMILES |
OC(=O)c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22N2O2/c28-25(29)19-12-10-17(11-13-19)16-27-15-14-21-20-8-4-5-9-22(20)26-23(21)24(27)18-6-2-1-3-7-18/h1-13,24,26H,14-16H2,(H,28,29)
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| InChIKey |
WCCPZEOFGDGTBI-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