General Information of the Compound
| Compound ID |
CP0555896
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| Compound Name |
2-[1-[4-[3-(4-chlorophenyl)propoxy]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C27H22ClNO4
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| Molecular Weight |
459.929
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(OCCCc3ccc(Cl)cc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H22ClNO4/c28-21-11-7-18(8-12-21)4-3-15-33-22-13-9-19(10-14-22)27(32)26-24-6-2-1-5-23(24)20(17-29-26)16-25(30)31/h1-2,5-14,17H,3-4,15-16H2,(H,30,31)
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| InChIKey |
CBLRMZZMUYVXFX-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