General Information of the Compound
| Compound ID |
CP0454094
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
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| Synonyms |
BMS compound 4c
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| Structure |
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| Formula |
C24H21F3N4OS
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| Molecular Weight |
470.52
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)
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| InChIKey |
ROIKEXLVELZTIZ-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
Clinical Information about the Compound