General Information of the Compound
| Compound ID |
CP0369180
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| Compound Name |
4-[3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C23H31F3N4OS
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| Molecular Weight |
468.589
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
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| InChI |
InChI=1S/C23H31F3N4OS/c1-29-21(18-6-3-2-4-7-18)27-28-22(29)32-15-5-12-30-13-14-31-20(16-30)17-8-10-19(11-9-17)23(24,25)26/h8-11,18,20H,2-7,12-16H2,1H3
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| InChIKey |
SNOYXNAOKVYMSM-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