General Information of the Compound
| Compound ID |
CP0930591
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| Compound Name |
SID131426930
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| Structure |
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| Formula |
C29H38N2O7S2
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| Molecular Weight |
590.764
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C#CC4CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C29H38N2O7S2/c1-21-18-31(22(2)20-32)40(35,36)29-16-11-24(10-9-23-7-5-6-8-23)17-27(29)38-28(21)19-30(3)39(33,34)26-14-12-25(37-4)13-15-26/h11-17,21-23,28,32H,5-8,18-20H2,1-4H3/t21-,22-,28+/m0/s1
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| InChIKey |
ZVNXGMIOBNLKAN-RXYILKCJSA-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