General Information of the Compound
| Compound ID |
CP0226055
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| Compound Name |
sulfonamide tricyclic analogue, 22
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| Structure |
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| Formula |
C27H36N4O4S
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| Molecular Weight |
512.676
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| Canonical SMILES |
CCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23
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| InChI |
InChI=1S/C27H36N4O4S/c1-4-12-28-17-25(32)22(14-19-9-7-6-8-10-19)29-27(33)21-15-23-26-20(11-13-36(34,35)30(23)3)18-31(5-2)24(26)16-21/h6-10,15-16,18,22,25,28,32H,4-5,11-14,17H2,1-3H3,(H,29,33)/t22-,25+/m0/s1
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| InChIKey |
QKUYWGQZOKYCIF-WIOPSUGQSA-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