General Information of the Compound
| Compound ID |
CP0439104
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| Compound Name |
4-((2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)methyl)benzonitrile
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| Structure |
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| Formula |
C17H21N7
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| Molecular Weight |
323.404
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2ccc(cc2)C#N)nc(N)n1
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| InChI |
InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)16-10-15(21-17(19)22-16)20-12-14-4-2-13(11-18)3-5-14/h2-5,10H,6-9,12H2,1H3,(H3,19,20,21,22)
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| InChIKey |
JWTHAIOFMVLSGZ-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