General Information of the Compound
| Compound ID |
CP0516924
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| Compound Name |
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C17H23N5
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| Molecular Weight |
297.406
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| Canonical SMILES |
CN1CCN(CC1)c1ccnc(NCCc2ccccc2)n1
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| InChI |
InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)16-8-10-19-17(20-16)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)
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| InChIKey |
BNXNWRSVYQHTOH-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