General Information of the Compound
| Compound ID |
CP0566887
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| Compound Name |
CHEMBL3780825
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| Formula |
C19H18N4O3
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| Molecular Weight |
350.378
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| Canonical SMILES |
COc1ccc(OC)c(c1)N1CC(=O)C(=C1N)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C19H18N4O3/c1-25-11-7-8-16(26-2)14(9-11)23-10-15(24)17(18(23)20)19-21-12-5-3-4-6-13(12)22-19/h3-9H,10,20H2,1-2H3,(H,21,22)
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| InChIKey |
UZCYSGPWCUGFGO-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