General Information of the Compound
| Compound ID |
CP0879629
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| Compound Name |
2-(3-(4-(3,5-dimethylisoxazol-4-yl)phenyl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H20N2O4
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| Molecular Weight |
364.401
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
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| InChI |
InChI=1S/C21H20N2O4/c1-13-20(14(2)27-23-13)16-10-7-15(8-11-16)9-12-19(24)22-18-6-4-3-5-17(18)21(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,22,24)(H,25,26)
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| InChIKey |
AMTVLHYWYMXOAF-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