General Information of the Compound
| Compound ID |
CP0461262
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| Compound Name |
methyl 1-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C28H27F3N4O4
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| Molecular Weight |
540.542
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| Canonical SMILES |
COC(=O)N1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C28H27F3N4O4/c1-38-26(37)34-16-14-27(15-17-34)18-35(23-8-4-2-6-21(23)27)24-9-5-3-7-22(24)33-25(36)32-19-10-12-20(13-11-19)39-28(29,30)31/h2-13H,14-18H2,1H3,(H2,32,33,36)
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| InChIKey |
OSOYSXQXYPULJI-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