General Information of the Compound
| Compound ID |
CP0913526
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| Compound Name |
4-(4-methylpiperazin-1-yl)-6-(naphthalen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C19H21N5
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| Molecular Weight |
319.412
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| Canonical SMILES |
CN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1
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| InChI |
InChI=1S/C19H21N5/c1-23-8-10-24(11-9-23)18-13-17(21-19(20)22-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,22)
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| InChIKey |
FVLWYTOUDBDGFK-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