General Information of the Compound
| Compound ID |
CP0266746
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| Compound Name |
3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidin-5-yl)carbonyl]benzonitrile
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| Structure |
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| Formula |
C19H14N6O
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| Molecular Weight |
342.362
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| Canonical SMILES |
O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)
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| InChIKey |
OJUWWGHSEBTYGS-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
Protein ID: PT07281, Biotinidase
Protein ID: PT04789, Pantetheinase