General Information of the Compound
| Compound ID |
CP0484258
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| Compound Name |
2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxo-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-thiane]-5-carboxamide
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| Structure |
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| Formula |
C28H28FN3O5S2
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| Molecular Weight |
569.68
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ccccn1
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| InChI |
InChI=1S/C28H28FN3O5S2/c29-21-7-9-23(10-8-21)39(36,37)32-25-11-6-20(27(33)31-18-22-3-1-2-14-30-22)17-24(25)28(26(32)19-4-5-19)12-15-38(34,35)16-13-28/h1-3,6-11,14,17,19,26H,4-5,12-13,15-16,18H2,(H,31,33)
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| InChIKey |
RAWFVNIRSAYYCM-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