General Information of the Compound
| Compound ID |
CP0864563
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| Compound Name |
SID87540315
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| Structure |
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| Formula |
C35H46ClN3O9S2
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| Molecular Weight |
752.352
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C35H46ClN3O9S2/c1-24-21-39(25(2)23-40)35(41)32-20-28(37-49(42,43)30-14-9-27(36)10-15-30)11-18-33(32)48-26(3)8-6-7-19-47-34(24)22-38(4)50(44,45)31-16-12-29(46-5)13-17-31/h9-18,20,24-26,34,37,40H,6-8,19,21-23H2,1-5H3/t24-,25+,26-,34-/m0/s1
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| InChIKey |
VMPKWWBSXOYPIR-OJQFFXEZSA-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