General Information of the Compound
| Compound ID |
CP0554620
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| Compound Name |
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]-2-methyl-2-morpholin-4-ylpropanamide
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| Structure |
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| Formula |
C30H32F8N2O4S
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| Molecular Weight |
668.647
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| Canonical SMILES |
CC(C)(N1CCOCC1)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/C30H32F8N2O4S/c1-26(2,40-13-15-44-16-14-40)25(41)39-24-11-12-27(45(42,43)21-7-5-20(31)6-8-21)22-10-4-19(17-18(22)3-9-23(24)27)28(32,29(33,34)35)30(36,37)38/h4-8,10,17,23-24H,3,9,11-16H2,1-2H3,(H,39,41)/t23-,24+,27+/m0/s1
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| InChIKey |
NDJFPJNHWITLET-CLCZQPDDSA-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