General Information of the Compound
| Compound ID |
CP0966280
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| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-[(R)-4-[4-(4-fluoro-5-(1-hydroxy-1-methyl-ethyl)-1H-benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C25H28F4N8O2S
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| Molecular Weight |
580.612
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| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C(C)(C)O)c(F)c4[nH]3)C[C@H]2C)n1
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| InChI |
InChI=1S/C25H28F4N8O2S/c1-12-10-35(8-9-36(12)17(38)11-37-14(3)30-13(2)34-37)22-20(33-23(40-22)25(27,28)29)21-31-16-7-6-15(24(4,5)39)18(26)19(16)32-21/h6-7,12,39H,8-11H2,1-5H3,(H,31,32)/t12-/m1/s1
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| InChIKey |
UTJPKSYZVYFIEX-GFCCVEGCSA-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