General Information of the Compound
| Compound ID |
CP0247688
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| Compound Name |
sulfonamide tricyclic analogue, 25
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| Structure |
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| Formula |
C26H32F2N4O4S
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| Molecular Weight |
534.629
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| Canonical SMILES |
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)F
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| InChI |
InChI=1S/C26H32F2N4O4S/c1-3-32-16-18-9-10-37(35,36)31(2)21-12-19(13-22(32)25(18)21)26(34)30-20(11-17-7-5-4-6-8-17)23(33)14-29-15-24(27)28/h4-8,12-13,16,20,23-24,29,33H,3,9-11,14-15H2,1-2H3,(H,30,34)/t20-,23+/m0/s1
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| InChIKey |
XQBSYJKOKFDCEX-NZQKXSOJSA-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