General Information of the Compound
| Compound ID |
CP0574953
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| Compound Name |
CHEMBL4878064
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| Formula |
C27H19N5O3
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| Molecular Weight |
461.481
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)-c1ccc(NC(=O)C#C)cc1)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H19N5O3/c1-2-23(33)30-19-12-8-17(9-13-19)22-16-29-32-25(26(28)34)24(31-27(22)32)18-10-14-21(15-11-18)35-20-6-4-3-5-7-20/h1,3-16,31H,(H2,28,34)(H,30,33)
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| InChIKey |
WXFGDGZQJKXMJQ-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