General Information of the Compound
| Compound ID |
CP0554164
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| Compound Name |
N-[(3-chloropyridin-2-yl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide
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| Structure |
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| Formula |
C28H27ClFN3O5S2
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| Molecular Weight |
604.125
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncccc1Cl
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| InChI |
InChI=1S/C28H27ClFN3O5S2/c29-23-2-1-13-31-24(23)17-32-27(34)19-5-10-25-22(16-19)28(11-14-39(35,36)15-12-28)26(18-3-4-18)33(25)40(37,38)21-8-6-20(30)7-9-21/h1-2,5-10,13,16,18,26H,3-4,11-12,14-15,17H2,(H,32,34)
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| InChIKey |
LMGSSYZDNYAASB-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