General Information of the Compound
| Compound ID |
CP0435286
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| Compound Name |
4,5-Bis-(2,4-dichloro-phenyl)-[1,2,3]triazole-2-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C25H22Cl4N4O
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| Molecular Weight |
536.29
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| Canonical SMILES |
Clc1ccc(-c2nn(nc2-c2ccc(Cl)cc2Cl)C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1
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| InChI |
InChI=1S/C25H22Cl4N4O/c26-16-1-3-18(20(28)8-16)22-23(19-4-2-17(27)9-21(19)29)32-33(31-22)24(34)30-25-10-13-5-14(11-25)7-15(6-13)12-25/h1-4,8-9,13-15H,5-7,10-12H2,(H,30,34)
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| InChIKey |
GPYNXTKNGYTHQE-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