General Information of the Compound
| Compound ID |
CP0432615
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| Compound Name |
[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
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| Structure |
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| Formula |
C26H25F3N8O2S2
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| Molecular Weight |
602.668
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| Canonical SMILES |
CC(O)c1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
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| InChI |
InChI=1S/C26H25F3N8O2S2/c1-13-21(41-22(33-13)14(2)38)19-12-40-25(34-19)35-20-6-3-15(7-30-20)23(39)37-17-4-5-18(37)11-36(10-17)24-31-8-16(9-32-24)26(27,28)29/h3,6-9,12,14,17-18,38H,4-5,10-11H2,1-2H3,(H,30,34,35)
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| InChIKey |
IULTXRHYNQZKJO-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
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4