General Information of the Compound
| Compound ID |
CP0544715
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| Compound Name |
CHEMBL3780392
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
COc1ccc(C)cc1N1CC(=O)C(=C1N)c1nc2ccc(C)cc2[nH]1
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| InChI |
InChI=1S/C20H20N4O2/c1-11-4-6-13-14(8-11)23-20(22-13)18-16(25)10-24(19(18)21)15-9-12(2)5-7-17(15)26-3/h4-9H,10,21H2,1-3H3,(H,22,23)
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| InChIKey |
BFFIKJPFNFXHNY-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