General Information of the Compound
| Compound ID |
CP0573613
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| Compound Name |
3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} benzonitrile
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| Structure |
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| Formula |
C19H14N4O
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| Molecular Weight |
314.348
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| Canonical SMILES |
O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1
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| InChI |
InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)
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| InChIKey |
RXWGCAHYHQFVJH-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