General Information of the Compound
| Compound ID |
CP0400672
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| Compound Name |
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
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| Structure |
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| Formula |
C16H24N6
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| Molecular Weight |
300.41
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| Canonical SMILES |
CN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1
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| InChI |
InChI=1S/C16H24N6/c1-20-9-11-21(12-10-20)8-7-17-16-14-22(19-18-16)13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3
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| InChIKey |
GQUXHKZBZCDRSP-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