General Information of the Compound
| Compound ID |
CP0519467
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| Compound Name |
1-[4-[2-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C17H22Cl2N6O
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| Molecular Weight |
397.31
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| Canonical SMILES |
CC(=O)N1CCN(CCNc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1
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| InChI |
InChI=1S/C17H22Cl2N6O/c1-13(26)24-8-6-23(7-9-24)5-4-20-17-12-25(22-21-17)11-14-2-3-15(18)16(19)10-14/h2-3,10,12,20H,4-9,11H2,1H3
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| InChIKey |
TWCQOWCGRUOCNF-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