General Information of the Compound
| Compound ID |
CP0387881
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| Compound Name |
2-[1-[4-[(3,4-dichlorophenyl)methylamino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H18Cl2N2O3
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| Molecular Weight |
465.336
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H18Cl2N2O3/c26-21-10-5-15(11-22(21)27)13-28-18-8-6-16(7-9-18)25(32)24-20-4-2-1-3-19(20)17(14-29-24)12-23(30)31/h1-11,14,28H,12-13H2,(H,30,31)
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| InChIKey |
HLFSHZRQBLLSQS-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