General Information of the Compound
| Compound ID |
CP0051952
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| Compound Name |
3-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-ylmethyl]-benzoic acid
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| Structure |
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| Formula |
C25H20ClNO4
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| Molecular Weight |
433.891
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3cccc(c3)C(O)=O)c2c1
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| InChI |
InChI=1S/C25H20ClNO4/c1-15-21(13-16-4-3-5-18(12-16)25(29)30)22-14-20(31-2)10-11-23(22)27(15)24(28)17-6-8-19(26)9-7-17/h3-12,14H,13H2,1-2H3,(H,29,30)
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| InChIKey |
XPUQBKVFRAHDME-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