General Information of the Compound
| Compound ID |
CP0541347
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| Compound Name |
N,N-dimethyl-4-[6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-benzimidazol-4-yl]aniline
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| Structure |
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| Formula |
C26H24F6N6
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| Molecular Weight |
534.508
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1cc(cc2[nH]c(nc12)N1CCN(CC1)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H24F6N6/c1-36(2)18-7-5-16(6-8-18)19-14-17(25(27,28)29)15-21-22(19)35-24(34-21)38-12-10-37(11-13-38)23-20(26(30,31)32)4-3-9-33-23/h3-9,14-15H,10-13H2,1-2H3,(H,34,35)
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| InChIKey |
KQIYEDLDIYJYPG-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