General Information of the Compound
| Compound ID |
CP0455296
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| Compound Name |
5-[4-methyl-5-[3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propylsulfanyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H25F3N6O2S
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| Molecular Weight |
506.554
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncc(c1)C(N)=O
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| InChI |
InChI=1S/C23H25F3N6O2S/c1-31-21(17-11-16(20(27)33)12-28-13-17)29-30-22(31)35-10-2-7-32-8-9-34-19(14-32)15-3-5-18(6-4-15)23(24,25)26/h3-6,11-13,19H,2,7-10,14H2,1H3,(H2,27,33)
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| InChIKey |
ODUXFQKZMHFWKP-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