General Information of the Compound
| Compound ID |
CP0543815
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| Compound Name |
[6-[(3R)-3-methyl-4-[6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzimidazol-2-yl]piperazin-1-yl]-5-(trifluoromethyl)pyridin-3-yl]-phenylmethanol
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| Structure |
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| Formula |
C32H24F9N5O
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| Molecular Weight |
665.56
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1C(F)(F)F)C(O)c1ccccc1
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| InChI |
InChI=1S/C32H24F9N5O/c1-16-15-45(29-22(32(39,40)41)9-19(14-42-29)28(47)17-5-3-2-4-6-17)7-8-46(16)30-43-25-13-20(31(36,37)38)12-21(27(25)44-30)18-10-23(33)26(35)24(34)11-18/h2-6,9-14,16,28,47H,7-8,15H2,1H3,(H,43,44)/t16-,28?/m1/s1
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| InChIKey |
RXMCLQUJNXPEIY-NFXOVVRFSA-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