General Information of the Compound
| Compound ID |
CP0386062
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| Compound Name |
2-[1-[4-[[4-(dimethylamino)benzoyl]amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C27H23N3O4
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| Molecular Weight |
453.498
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C27H23N3O4/c1-30(2)21-13-9-18(10-14-21)27(34)29-20-11-7-17(8-12-20)26(33)25-23-6-4-3-5-22(23)19(16-28-25)15-24(31)32/h3-14,16H,15H2,1-2H3,(H,29,34)(H,31,32)
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| InChIKey |
KOUCLTRRCYOAMK-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