General Information of the Compound
| Compound ID |
CP0039813
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| Compound Name |
bicyclic sulfonamide analogue, 11
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| Structure |
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| Formula |
C31H37F3N4O4S
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| Molecular Weight |
618.722
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| Canonical SMILES |
CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H37F3N4O4S/c1-3-36-26-17-23(18-28-25(26)13-8-14-43(41,42)38(28)2)30(40)37-27(16-21-9-5-4-6-10-21)29(39)20-35-19-22-11-7-12-24(15-22)31(32,33)34/h4-7,9-12,15,17-18,27,29,35-36,39H,3,8,13-14,16,19-20H2,1-2H3,(H,37,40)/t27-,29+/m0/s1
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| InChIKey |
WQHZROCXTAISEJ-LMSSTIIKSA-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