General Information of the Compound
| Compound ID |
CP0488922
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| Compound Name |
3-[3-[(4-bromophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C19H19BrN4OS
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| Molecular Weight |
431.359
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| Canonical SMILES |
Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C19H19BrN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
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| InChIKey |
BVOGOJFKHWNPKC-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