General Information of the Compound
| Compound ID |
CP0579710
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| Compound Name |
3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl}carbonyl) benzonitrile
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| Structure |
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| Formula |
C18H13N5O
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| Molecular Weight |
315.336
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| Canonical SMILES |
O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)
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| InChIKey |
PWNZBAASKKTHKD-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