General Information of the Compound
| Compound ID |
CP0912916
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| Compound Name |
SID104170793
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| Structure |
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| Formula |
C35H47N3O9S2
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| Molecular Weight |
717.907
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C35H47N3O9S2/c1-25-22-38(26(2)24-39)35(40)32-21-28(36-48(41,42)30-12-7-6-8-13-30)14-19-33(32)47-27(3)11-9-10-20-46-34(25)23-37(4)49(43,44)31-17-15-29(45-5)16-18-31/h6-8,12-19,21,25-27,34,36,39H,9-11,20,22-24H2,1-5H3/t25-,26-,27+,34+/m1/s1
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| InChIKey |
ZALHBQYLEWTERP-GHVZQYPWSA-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