General Information of the Compound
| Compound ID |
CP0968852
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| Compound Name |
1-[(R)-4-(4-(1H-Benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl]-2-(3-methoxy-pyrrolidin-1-yl)-ethanone
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| Structure |
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| Formula |
C23H27F3N6O2S
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| Molecular Weight |
508.57
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| Canonical SMILES |
COC1CCN(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)C1
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| InChI |
InChI=1S/C23H27F3N6O2S/c1-14-11-31(9-10-32(14)18(33)13-30-8-7-15(12-30)34-2)21-19(29-22(35-21)23(24,25)26)20-27-16-5-3-4-6-17(16)28-20/h3-6,14-15H,7-13H2,1-2H3,(H,27,28)/t14-,15?/m1/s1
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| InChIKey |
JSJFBRAJAMDSBJ-GICMACPYSA-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