General Information of the Compound
| Compound ID |
CP0537726
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| Compound Name |
4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C35H28F4N4
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| Molecular Weight |
580.629
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| Canonical SMILES |
Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C35H28F4N4/c36-29-19-31-30(18-28(29)35(37,38)39)41-32(42-31)34(27-11-9-25(10-12-27)26-8-4-7-24(17-26)20-40)22-33(34)13-15-43(16-14-33)21-23-5-2-1-3-6-23/h1-12,17-19H,13-16,21-22H2,(H,41,42)
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| InChIKey |
NHYLZUCRHZRFCY-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