General Information of the Compound
| Compound ID |
CP0532995
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| Compound Name |
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide
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| Structure |
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| Formula |
C30H29F2N3O4S
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| Molecular Weight |
565.642
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccc(F)c3)cc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H29F2N3O4S/c1-19(36)34-15-13-30(14-16-34)26-18-24(33-29(37)21-3-2-4-23(32)17-21)9-12-27(26)35(28(30)20-5-6-20)40(38,39)25-10-7-22(31)8-11-25/h2-4,7-12,17-18,20,28H,5-6,13-16H2,1H3,(H,33,37)
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| InChIKey |
SNLRHKYGBNIMNQ-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