General Information of the Compound
| Compound ID |
CP0458979
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| Compound Name |
3-[[5-[3-(hydroxymethyl)phenyl]-2-methylbenzoyl]amino]-2,4-dimethylbenzoic acid
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| Structure |
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| Formula |
C24H23NO4
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| Molecular Weight |
389.451
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| Canonical SMILES |
Cc1ccc(cc1C(=O)Nc1c(C)ccc(C(O)=O)c1C)-c1cccc(CO)c1
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| InChI |
InChI=1S/C24H23NO4/c1-14-7-9-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)8-10-20(16(22)3)24(28)29/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)
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| InChIKey |
YVEYHCMGKDKZQI-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