General Information of the Compound
| Compound ID |
CP0363400
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| Compound Name |
4-[3-(2,4,6-trichlorobenzoyl)indol-1-yl]benzoic acid
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| Structure |
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| Formula |
C22H12Cl3NO3
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| Molecular Weight |
444.701
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cc(Cl)cc2Cl)c2ccccc12
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| InChI |
InChI=1S/C22H12Cl3NO3/c23-13-9-17(24)20(18(25)10-13)21(27)16-11-26(19-4-2-1-3-15(16)19)14-7-5-12(6-8-14)22(28)29/h1-11H,(H,28,29)
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| InChIKey |
BGNNDHVBIWWHMA-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