General Information of the Compound
| Compound ID |
CP0108777
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| Compound Name |
sulfonamide tricyclic analogue, 13
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| Structure |
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| Formula |
C26H34N4O4S
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| Molecular Weight |
498.649
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| Canonical SMILES |
CCNC[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/C26H34N4O4S/c1-4-27-16-24(31)21(13-18-9-7-6-8-10-18)28-26(32)20-14-22-25-19(11-12-35(33,34)29(22)3)17-30(5-2)23(25)15-20/h6-10,14-15,17,21,24,27,31H,4-5,11-13,16H2,1-3H3,(H,28,32)/t21-,24+/m0/s1
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| InChIKey |
OTTLWNIOFJDSBI-XUZZJYLKSA-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