General Information of the Compound
| Compound ID |
CP0444119
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| Compound Name |
4-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C16H21N5
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| Molecular Weight |
283.379
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| Canonical SMILES |
CC1CCN(CC1)c1ccnc(NCc2cccnc2)n1
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| InChI |
InChI=1S/C16H21N5/c1-13-5-9-21(10-6-13)15-4-8-18-16(20-15)19-12-14-3-2-7-17-11-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,19,20)
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| InChIKey |
UYIXZNDANFFZQE-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