General Information of the Compound
| Compound ID |
CP0174646
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| Compound Name |
4-[3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C21H23F3N6OS
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| Molecular Weight |
464.517
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
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| InChI |
InChI=1S/C21H23F3N6OS/c1-29-19(17-13-25-7-8-26-17)27-28-20(29)32-12-2-9-30-10-11-31-18(14-30)15-3-5-16(6-4-15)21(22,23)24/h3-8,13,18H,2,9-12,14H2,1H3
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| InChIKey |
YLJUQDZJFUBUSL-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