General Information of the Compound
| Compound ID |
CP0549114
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| Compound Name |
benzyl 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 |
C34H31F3N4O4
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| Molecular Weight |
616.64
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC3)C(=O)OCc3ccccc3)c3ccccc23)cc1
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| InChI |
InChI=1S/C34H31F3N4O4/c35-34(36,37)45-26-16-14-25(15-17-26)38-31(42)39-28-11-5-7-13-30(28)41-23-33(27-10-4-6-12-29(27)41)18-20-40(21-19-33)32(43)44-22-24-8-2-1-3-9-24/h1-17H,18-23H2,(H2,38,39,42)
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| InChIKey |
GPTSTWODEIAOAF-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