General Information of the Compound
| Compound ID |
CP0434056
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| Compound Name |
4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-(pyrrolidine-1-carbonyl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C33H29F4N5O
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| Molecular Weight |
587.621
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| Canonical SMILES |
Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC1)C(=O)N1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C33H29F4N5O/c34-26-18-28-27(17-25(26)33(35,36)37)39-29(40-28)32(24-8-6-22(7-9-24)23-5-3-4-21(16-23)19-38)20-31(32)10-14-42(15-11-31)30(43)41-12-1-2-13-41/h3-9,16-18H,1-2,10-15,20H2,(H,39,40)
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| InChIKey |
RTXJBKDZSRSMLJ-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