General Information of the Compound
| Compound ID |
CP0574445
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| Compound Name |
3-[(2S)-2-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-pyrrolo[3,2-f]quinoline-3-carbonyl]-5-oxopyrrolidin-1-yl]propanenitrile
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| Formula |
C28H24F8N4O4S
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| Molecular Weight |
664.575
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1nc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1CCC#N
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| InChI |
InChI=1S/C28H24F8N4O4S/c29-16-2-4-17(5-3-16)45(43,44)25-12-15-40(24(42)20-8-11-23(41)39(20)14-1-13-37)22(25)10-7-19-18(25)6-9-21(38-19)26(30,27(31,32)33)28(34,35)36/h2-6,9,20,22H,1,7-8,10-12,14-15H2/t20-,22+,25+/m0/s1
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| InChIKey |
ILNOJESQIBYYJI-NIRIFSCTSA-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