General Information of the Compound
| Compound ID |
CP0491982
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| Compound Name |
1'-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C31H30ClF2N3O4S
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| Molecular Weight |
614.114
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(cc21)C(=O)NCc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H30ClF2N3O4S/c1-19(38)36-14-12-31(13-15-36)26-16-21(30(39)35-18-22-4-6-24(34)17-27(22)32)5-11-28(26)37(29(31)20-2-3-20)42(40,41)25-9-7-23(33)8-10-25/h4-11,16-17,20,29H,2-3,12-15,18H2,1H3,(H,35,39)
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| InChIKey |
WGBKIEKXNPAWLO-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