General Information of the Compound
| Compound ID |
CP0525922
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| Compound Name |
4-(3,4-difluorobenzyl)-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 |
C25H19F8N5
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| Molecular Weight |
541.446
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| Canonical SMILES |
Fc1ccc(Cc2cc(cc3nc([nH]c23)N2CCN(CC2)c2ncccc2C(F)(F)F)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C25H19F8N5/c26-18-4-3-14(11-19(18)27)10-15-12-16(24(28,29)30)13-20-21(15)36-23(35-20)38-8-6-37(7-9-38)22-17(25(31,32)33)2-1-5-34-22/h1-5,11-13H,6-10H2,(H,35,36)
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| InChIKey |
USDZYVNZOTXUIS-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