General Information of the Compound
| Compound ID |
CP0485939
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| Compound Name |
CHEMBL201860
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| Formula |
C26H22ClNO4
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| Molecular Weight |
447.918
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OCc1ccc2ccccc2c1)c1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C26H22ClNO4/c1-15-22(25(29)30)24(20-8-5-9-21(27)13-20)23(16(2)28-15)26(31)32-14-17-10-11-18-6-3-4-7-19(18)12-17/h3-13,24,31H,14H2,1-2H3,(H,29,30)/b26-23+
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| InChIKey |
ATXYLDZXMZKXHP-WNAAXNPUSA-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