General Information of the Compound
| Compound ID |
CP0488921
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[[4-(4-nitrophenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C25H23N5O3S
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| Molecular Weight |
473.558
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C25H23N5O3S/c31-30(32)20-11-7-18(8-12-20)19-9-13-22(14-10-19)33-17-24-27-28-25(34-23-5-1-2-6-23)29(24)21-4-3-15-26-16-21/h3-4,7-16,23H,1-2,5-6,17H2
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| InChIKey |
GKKAUXFLHZXPSP-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