General Information of the Compound
| Compound ID |
CP0387887
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| Compound Name |
2-[1-[4-[3-(3,4-dichlorophenyl)propanoylamino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C27H20Cl2N2O4
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| Molecular Weight |
507.373
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H20Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-5,7-11,13,15H,6,12,14H2,(H,31,32)(H,33,34)
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| InChIKey |
HLUOZNJHQSVRMX-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