General Information of the Compound
| Compound ID |
CP0387885
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| Compound Name |
2-[1-[4-(cyclopropanecarbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C22H18N2O4
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| Molecular Weight |
374.396
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc12
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| InChI |
InChI=1S/C22H18N2O4/c25-19(26)11-15-12-23-20(18-4-2-1-3-17(15)18)21(27)13-7-9-16(10-8-13)24-22(28)14-5-6-14/h1-4,7-10,12,14H,5-6,11H2,(H,24,28)(H,25,26)
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| InChIKey |
HVLWBXCBLPJHLS-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