General Information of the Compound
| Compound ID |
CP0527737
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| Compound Name |
4-pyrazin-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C22H17F6N7
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| Molecular Weight |
493.415
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| Canonical SMILES |
FC(F)(F)c1cc(-c2cnccn2)c2nc([nH]c2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H17F6N7/c23-21(24,25)13-10-14(17-12-29-4-5-30-17)18-16(11-13)32-20(33-18)35-8-6-34(7-9-35)19-15(22(26,27)28)2-1-3-31-19/h1-5,10-12H,6-9H2,(H,32,33)
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| InChIKey |
QOHJMVYILJDCMJ-UHFFFAOYSA-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