General Information of the Compound
| Compound ID |
CP0573612
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| Compound Name |
3-({2-[(pyrimidin- 5- ylmethyl)amino] pyrimidin-5- yl}carbonyl) benzonitrile
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| Structure |
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| Formula |
C17H12N6O
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| Molecular Weight |
316.324
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| Canonical SMILES |
O=C(c1cnc(NCc2cncnc2)nc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C17H12N6O/c18-5-12-2-1-3-14(4-12)16(24)15-9-22-17(23-10-15)21-8-13-6-19-11-20-7-13/h1-4,6-7,9-11H,8H2,(H,21,22,23)
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| InChIKey |
CRPAGROPHFVERB-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