General Information of the Compound
| Compound ID |
CP0483635
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| Compound Name |
3-[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]benzonitrile
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| Structure |
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| Formula |
C15H17N7
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| Molecular Weight |
295.35
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(n1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C15H17N7/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)12-4-2-3-11(9-12)10-16/h2-4,9H,5-8H2,1H3,(H2,17,18,19,20)
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| InChIKey |
MJGZXRBFAAQYDP-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