General Information of the Compound
| Compound ID |
CP0304469
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| Compound Name |
3-[4-methyl-5-[3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propylsulfanyl]-1,2,4-triazol-3-yl]benzamide
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| Structure |
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| Formula |
C24H26F3N5O2S
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| Molecular Weight |
505.566
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C24H26F3N5O2S/c1-31-22(18-5-2-4-17(14-18)21(28)33)29-30-23(31)35-13-3-10-32-11-12-34-20(15-32)16-6-8-19(9-7-16)24(25,26)27/h2,4-9,14,20H,3,10-13,15H2,1H3,(H2,28,33)
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| InChIKey |
ZBGYXTWHZHZMHW-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