General Information of the Compound
| Compound ID |
CP0570477
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| Compound Name |
3-[(E)-2-[4-amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethenyl]benzonitrile
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| Structure |
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| Formula |
C17H19N7
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| Molecular Weight |
321.388
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)C#N)n1
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| InChI |
InChI=1S/C17H19N7/c1-23-7-9-24(10-8-23)17-21-15(20-16(19)22-17)6-5-13-3-2-4-14(11-13)12-18/h2-6,11H,7-10H2,1H3,(H2,19,20,21,22)/b6-5+
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| InChIKey |
QRQGGPUDDVMZIW-AATRIKPKSA-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