General Information of the Compound
| Compound ID |
CP0464015
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| Compound Name |
3-[2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
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| Structure |
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| Formula |
C25H22F3N3O2S
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| Molecular Weight |
485.531
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1cccc(O)c1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O2S/c1-24(2,3)17-10-4-5-12-19(17)33-22-18(11-7-13-29-22)30-23-31-21(25(26,27)28)20(34-23)15-8-6-9-16(32)14-15/h4-14,32H,1-3H3,(H,30,31)
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| InChIKey |
ASMMSKNUMSGHJR-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