General Information of the Compound
| Compound ID |
CP0447886
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| Compound Name |
4-[4-methyl-5-[3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propylsulfanyl]-1,2,4-triazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C23H26F3N5O3S2
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| Molecular Weight |
541.621
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C23H26F3N5O3S2/c1-30-21(17-5-9-19(10-6-17)36(27,32)33)28-29-22(30)35-14-2-11-31-12-13-34-20(15-31)16-3-7-18(8-4-16)23(24,25)26/h3-10,20H,2,11-15H2,1H3,(H2,27,32,33)
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| InChIKey |
UOTFFOLRZJNLDZ-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