General Information of the Compound
| Compound ID |
CP0964909
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| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-[(R)-2-methyl-4-(4-(5-trifluoromethoxy-1H-benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C25H20F6N8O2S
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| Molecular Weight |
610.544
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| Canonical SMILES |
C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21
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| InChI |
InChI=1S/C25H20F6N8O2S/c1-13-10-37(7-8-39(13)18(40)11-38-12-33-16-3-2-6-32-21(16)38)22-19(36-23(42-22)24(26,27)28)20-34-15-5-4-14(9-17(15)35-20)41-25(29,30)31/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,34,35)/t13-/m1/s1
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| InChIKey |
KHYXXPXLEAQCEO-CYBMUJFWSA-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