General Information of the Compound
| Compound ID |
CP0336173
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| Compound Name |
2-(3-(6-hydroxy-1-methyl-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H19N3O4
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| Molecular Weight |
377.4
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| Canonical SMILES |
Cn1nc(CCC(=O)Nc2ccccc2C(O)=O)c2Cc3cc(O)ccc3-c12
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| InChI |
InChI=1S/C21H19N3O4/c1-24-20-14-7-6-13(25)10-12(14)11-16(20)18(23-24)8-9-19(26)22-17-5-3-2-4-15(17)21(27)28/h2-7,10,25H,8-9,11H2,1H3,(H,22,26)(H,27,28)
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| InChIKey |
KAJYWMWSDDQACU-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