General Information of the Compound
| Compound ID |
CP0525457
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| Compound Name |
2-[5-(2,4-Dichloro-phenyl)-3-dipropylamino-[1,2,4]triazol-1-yl]-ethanol
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| Structure |
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| Formula |
C16H22Cl2N4O
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| Molecular Weight |
357.285
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| Canonical SMILES |
CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(CCO)n1
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| InChI |
InChI=1S/C16H22Cl2N4O/c1-3-7-21(8-4-2)16-19-15(22(20-16)9-10-23)13-6-5-12(17)11-14(13)18/h5-6,11,23H,3-4,7-10H2,1-2H3
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| InChIKey |
COHZPGURAPFWQG-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