General Information of the Compound
| Compound ID |
CP0538323
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| Compound Name |
1-[2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C27H27F3N4O2
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| Molecular Weight |
496.533
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| Canonical SMILES |
CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C27H27F3N4O2/c1-33-16-14-26(15-17-33)18-34(23-8-4-2-6-21(23)26)24-9-5-3-7-22(24)32-25(35)31-19-10-12-20(13-11-19)36-27(28,29)30/h2-13H,14-18H2,1H3,(H2,31,32,35)
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| InChIKey |
DYZFBGGEUZZMBC-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