General Information of the Compound
| Compound ID |
CP0386065
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| Compound Name |
2-[1-[4-[(2-cyclohexylacetyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C26H26N2O4
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| Molecular Weight |
430.504
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H26N2O4/c29-23(14-17-6-2-1-3-7-17)28-20-12-10-18(11-13-20)26(32)25-22-9-5-4-8-21(22)19(16-27-25)15-24(30)31/h4-5,8-13,16-17H,1-3,6-7,14-15H2,(H,28,29)(H,30,31)
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| InChIKey |
DEASDPOUKDUMLS-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