General Information of the Compound
| Compound ID |
CP0485940
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| Compound Name |
CHEMBL202605
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| Formula |
C23H21ClN2O5
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| Molecular Weight |
440.883
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OCC(=O)Nc1ccccc1)c1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C23H21ClN2O5/c1-13-19(22(28)29)21(15-7-6-8-16(24)11-15)20(14(2)25-13)23(30)31-12-18(27)26-17-9-4-3-5-10-17/h3-11,21,30H,12H2,1-2H3,(H,26,27)(H,28,29)/b23-20+
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| InChIKey |
SBDOPWHJKWSKJA-BSYVCWPDSA-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