General Information of the Compound
| Compound ID |
CP0535006
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| Compound Name |
2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxo-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-indole-3,4'-thiane]-5-carboxamide
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| Structure |
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| Formula |
C29H27F4N3O5S2
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| Molecular Weight |
637.677
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C29H27F4N3O5S2/c30-21-5-8-23(9-6-21)43(40,41)36-25-10-3-19(27(37)35-17-22-7-4-20(16-34-22)29(31,32)33)15-24(25)28(26(36)18-1-2-18)11-13-42(38,39)14-12-28/h3-10,15-16,18,26H,1-2,11-14,17H2,(H,35,37)
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| InChIKey |
XAPNPHRKZYIEID-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