General Information of the Compound
| Compound ID |
CP0555300
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| Compound Name |
(3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyrimidin-5-yl}methanone
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| Structure |
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| Formula |
C18H16N4O
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| Molecular Weight |
304.353
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| Canonical SMILES |
Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
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| InChI |
InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)
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| InChIKey |
QUFWCLLJSUHQDF-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