General Information of the Compound
| Compound ID |
CP0527828
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| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C28H27ClFN3O4S
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| Molecular Weight |
556.059
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| Canonical SMILES |
CC(=O)N1CCC2(CN(c3ccc(cc23)C(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H27ClFN3O4S/c1-19(34)32-14-12-28(13-15-32)18-33(38(36,37)23-9-7-22(30)8-10-23)26-11-6-20(16-24(26)28)27(35)31-17-21-4-2-3-5-25(21)29/h2-11,16H,12-15,17-18H2,1H3,(H,31,35)
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| InChIKey |
LCPKEHKIGWUONV-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