General Information of the Compound
| Compound ID |
CP0484522
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| Compound Name |
2-[1-[4-(naphthalene-1-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C29H20N2O4
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| Molecular Weight |
460.489
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c2ccccc12
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| InChI |
InChI=1S/C29H20N2O4/c32-26(33)16-20-17-30-27(24-10-4-3-9-23(20)24)28(34)19-12-14-21(15-13-19)31-29(35)25-11-5-7-18-6-1-2-8-22(18)25/h1-15,17H,16H2,(H,31,35)(H,32,33)
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| InChIKey |
VFRWDFKXJUFVQT-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