General Information of the Compound
| Compound ID |
CP0356251
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| Compound Name |
4-[5-[3-[2-[2-fluoro-4-(trifluoromethyl)phenyl]morpholin-4-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]benzamide
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| Structure |
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| Formula |
C24H25F4N5O2S
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| Molecular Weight |
523.556
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2F)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C24H25F4N5O2S/c1-32-22(16-5-3-15(4-6-16)21(29)34)30-31-23(32)36-12-2-9-33-10-11-35-20(14-33)18-8-7-17(13-19(18)25)24(26,27)28/h3-8,13,20H,2,9-12,14H2,1H3,(H2,29,34)
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| InChIKey |
ODRXDASPVTXFDY-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