General Information of the Compound
| Compound ID |
CP0558738
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| Compound Name |
CHEMBL4857178
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| Formula |
C24H18N4O
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| Molecular Weight |
378.435
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| Canonical SMILES |
O=c1cc(Nc2ccccc2)[nH]c2c(c(nn12)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C24H18N4O/c29-21-16-20(25-19-14-8-3-9-15-19)26-24-22(17-10-4-1-5-11-17)23(27-28(21)24)18-12-6-2-7-13-18/h1-16,25-26H
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| InChIKey |
JKMAXWSSEVLOCR-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