General Information of the Compound
| Compound ID |
CP0449192
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| Compound Name |
1-[2-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]phenyl]ethanone
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| Structure |
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| Formula |
C27H26N4O2S
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| Molecular Weight |
470.598
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| Canonical SMILES |
CC(=O)c1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C27H26N4O2S/c1-19(32)24-10-4-5-11-25(24)20-12-14-22(15-13-20)33-18-26-29-30-27(34-23-8-2-3-9-23)31(26)21-7-6-16-28-17-21/h4-7,10-17,23H,2-3,8-9,18H2,1H3
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| InChIKey |
PVSKWWAXHIQIGR-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