General Information of the Compound
| Compound ID |
CP0144858
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| Compound Name |
[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-c]quinolin-3-yl]-(4-hydroxy-1,1-dioxothian-4-yl)methanone
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| Structure |
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| Formula |
C27H26F8N2O6S2
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| Molecular Weight |
690.631
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| Canonical SMILES |
CN1C[C@H]2N(CC[C@]2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C1(O)CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C27H26F8N2O6S2/c1-36-15-21-24(45(42,43)18-5-3-17(28)4-6-18,8-11-37(21)22(38)23(39)9-12-44(40,41)13-10-23)19-7-2-16(14-20(19)36)25(29,26(30,31)32)27(33,34)35/h2-7,14,21,39H,8-13,15H2,1H3/t21-,24-/m1/s1
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| InChIKey |
LWIUACLWPFXZHB-ZJSXRUAMSA-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