General Information of the Compound
| Compound ID |
CP0568406
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| Compound Name |
4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-tolyl-1,6- dihydropyrimidin-4-yl)-benzonitrile
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
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| InChIKey |
KFFPAIUTQJYMTC-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