General Information of the Compound
| Compound ID |
CP0441697
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| Compound Name |
1-[4-[2-[[1-(3,4-dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C16H20Cl2N6O
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| Molecular Weight |
383.283
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| Canonical SMILES |
CC(=O)N1CCN(CCNc2cn(nn2)-c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3
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| InChIKey |
XAGAEJWVAGEOND-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