General Information of the Compound
| Compound ID |
CP0456881
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| Compound Name |
CHEMBL203470
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| Formula |
C23H22N2O4
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| Molecular Weight |
390.439
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccnc1)C(O)=O
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| InChI |
InChI=1S/C23H22N2O4/c1-15-19(22(26)27)21(18-11-6-12-24-14-18)20(16(2)25-15)23(28)29-13-7-10-17-8-4-3-5-9-17/h3-12,14,21,28H,13H2,1-2H3,(H,26,27)/b10-7+,23-20+
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| InChIKey |
YYAKDYVWWSXAMA-MJQFUSAHSA-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