General Information of the Compound
| Compound ID |
CP0952072
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| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-[(R)-2-methyl-4-(4-(4-methyl-1H-benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C23H25F3N8OS
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| Molecular Weight |
518.569
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| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4cccc(C)c4[nH]3)C[C@H]2C)n1
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| InChI |
InChI=1S/C23H25F3N8OS/c1-12-6-5-7-16-18(12)29-20(28-16)19-21(36-22(30-19)23(24,25)26)32-8-9-33(13(2)10-32)17(35)11-34-15(4)27-14(3)31-34/h5-7,13H,8-11H2,1-4H3,(H,28,29)/t13-/m1/s1
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| InChIKey |
CVSQNBQDYIPMCX-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