General Information of the Compound
| Compound ID |
CP0455604
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| Compound Name |
CHEMBL3781175
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
COc1ccccc1N1CC(=O)C(=C1N)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H16N4O2/c1-24-15-9-5-4-8-13(15)22-10-14(23)16(17(22)19)18-20-11-6-2-3-7-12(11)21-18/h2-9H,10,19H2,1H3,(H,20,21)
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| InChIKey |
CROFOOOIISPNIU-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