General Information of the Compound
| Compound ID |
CP0516045
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| Compound Name |
3-[[6-chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C21H18ClN3O2
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| Molecular Weight |
379.847
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| Canonical SMILES |
Cc1c(Cc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1
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| InChI |
InChI=1S/C21H18ClN3O2/c1-13-19(9-14-4-3-5-15(8-14)21(26)27)18-7-6-16(22)10-20(18)25(13)17-11-23-24(2)12-17/h3-8,10-12H,9H2,1-2H3,(H,26,27)
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| InChIKey |
XHMGCXQHNDCUAX-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