General Information of the Compound
| Compound ID |
CP0386148
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| Compound Name |
3-[(E)-2-(4-bromophenyl)ethenyl]-5-cyclopentylsulfanyl-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C21H20BrN3S
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| Molecular Weight |
426.383
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| Canonical SMILES |
Brc1ccc(\C=C\c2nnc(SC3CCCC3)n2-c2ccccc2)cc1
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| InChI |
InChI=1S/C21H20BrN3S/c22-17-13-10-16(11-14-17)12-15-20-23-24-21(26-19-8-4-5-9-19)25(20)18-6-2-1-3-7-18/h1-3,6-7,10-15,19H,4-5,8-9H2/b15-12+
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| InChIKey |
NXASTIHSMLUFHL-NTCAYCPXSA-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