General Information of the Compound
| Compound ID |
CP0427167
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| Compound Name |
3-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzonitrile
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| Structure |
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| Formula |
C26H23N5OS
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| Molecular Weight |
453.571
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| Canonical SMILES |
N#Cc1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C26H23N5OS/c27-16-19-5-3-6-21(15-19)20-10-12-23(13-11-20)32-18-25-29-30-26(33-24-8-1-2-9-24)31(25)22-7-4-14-28-17-22/h3-7,10-15,17,24H,1-2,8-9,18H2
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| InChIKey |
LRMCBOVQKWELHE-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