General Information of the Compound
| Compound ID |
CP0489810
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| Compound Name |
2-[1-[4-(1,3-thiazole-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C22H15N3O4S
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| Molecular Weight |
417.446
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cscn3)cc2)c2ccccc12
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| InChI |
InChI=1S/C22H15N3O4S/c26-19(27)9-14-10-23-20(17-4-2-1-3-16(14)17)21(28)13-5-7-15(8-6-13)25-22(29)18-11-30-12-24-18/h1-8,10-12H,9H2,(H,25,29)(H,26,27)
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| InChIKey |
ARHSQYCGAQRIMP-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