General Information of the Compound
| Compound ID |
CP0386018
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| Compound Name |
N-(5-tert-butyl-2-fluorophenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
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| Structure |
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| Formula |
C27H24F4N6O
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| Molecular Weight |
524.522
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| Canonical SMILES |
Cn1c(Nc2cc(ccc2F)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
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| InChI |
InChI=1S/C27H24F4N6O/c1-26(2,3)15-5-7-18(28)19(11-15)34-25-35-20-12-16(6-8-22(20)37(25)4)38-17-9-10-32-21(13-17)24-33-14-23(36-24)27(29,30)31/h5-14H,1-4H3,(H,33,36)(H,34,35)
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| InChIKey |
KLUQUTDAFSUQQQ-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