General Information of the Compound
| Compound ID |
CP0565264
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| Compound Name |
(2R,4S)-N-[(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-1-(2-cyanoethyl)-4-hydroxy-5-oxopyrrolidine-2-carboxamide
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| Formula |
C30H27F8N3O5S
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| Molecular Weight |
693.613
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| Canonical SMILES |
O[C@H]1C[C@@H](N(CCC#N)C1=O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H27F8N3O5S/c31-18-4-6-19(7-5-18)47(45,46)27-11-10-22(40-25(43)23-15-24(42)26(44)41(23)13-1-12-39)21(27)8-2-16-14-17(3-9-20(16)27)28(32,29(33,34)35)30(36,37)38/h3-7,9,14,21-24,42H,1-2,8,10-11,13,15H2,(H,40,43)/t21-,22+,23+,24-,27+/m0/s1
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| InChIKey |
DAMUTXRZSRPVKZ-QEXRHJMMSA-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