General Information of the Compound
| Compound ID |
CP0428732
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| Compound Name |
1-[(Z)-2-Cyclooctyloxy-2-(2,4-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole
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| Structure |
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| Formula |
C18H21Cl2N3O
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| Molecular Weight |
366.292
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| Canonical SMILES |
Clc1ccc(\C(OC2CCCCCCC2)=C\n2cncn2)c(Cl)c1
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| InChI |
InChI=1S/C18H21Cl2N3O/c19-14-8-9-16(17(20)10-14)18(11-23-13-21-12-22-23)24-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2/b18-11-
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| InChIKey |
BEPANIVQPGBOQX-WQRHYEAKSA-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