General Information of the Compound
| Compound ID |
CP0558737
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| Compound Name |
CHEMBL4552037
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| Formula |
C28H20N4O
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| Molecular Weight |
428.495
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| Canonical SMILES |
Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C28H20N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h2-17,30H,1H3
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| InChIKey |
ZMZOMWGRJGQLDW-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