General Information of the Compound
| Compound ID |
CP0952873
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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-(4,4-difluoro-piperidin-1-yl)-ethanone
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| Structure |
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| Formula |
C23H25F5N6OS
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| Molecular Weight |
528.551
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| Canonical SMILES |
C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)CN1CCC(F)(F)CC1
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| InChI |
InChI=1S/C23H25F5N6OS/c1-14-12-33(10-11-34(14)17(35)13-32-8-6-22(24,25)7-9-32)20-18(31-21(36-20)23(26,27)28)19-29-15-4-2-3-5-16(15)30-19/h2-5,14H,6-13H2,1H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
XLQPMLTUPLZPTH-CQSZACIVSA-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