General Information of the Compound
| Compound ID |
CP0574192
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| Compound Name |
4-[2-(4-aminopiperidin-1-yl)-5-(4- methylphenyl)pyrimidin-4- yl]benzonitrile
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| Structure |
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| Formula |
C23H23N5
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| Molecular Weight |
369.472
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| Canonical SMILES |
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
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| InChI |
InChI=1S/C23H23N5/c1-16-2-6-18(7-3-16)21-15-26-23(28-12-10-20(25)11-13-28)27-22(21)19-8-4-17(14-24)5-9-19/h2-9,15,20H,10-13,25H2,1H3
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| InChIKey |
OGEVZUHIPGWVBV-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