General Information of the Compound
| Compound ID |
CP0549647
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| Compound Name |
2-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H17Cl2N3O4
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| Molecular Weight |
494.334
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H17Cl2N3O4/c26-20-10-9-17(12-21(20)27)30-25(34)29-16-7-5-14(6-8-16)24(33)23-19-4-2-1-3-18(19)15(13-28-23)11-22(31)32/h1-10,12-13H,11H2,(H,31,32)(H2,29,30,34)
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| InChIKey |
CNAJRELHCIKPPZ-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