General Information of the Compound
| Compound ID |
CP0899486
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| Compound Name |
SID131412525
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| Structure |
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| Formula |
C40H50N4O7S
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| Molecular Weight |
730.928
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc4ccccc24)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C40H50N4O7S/c1-27-16-19-33(20-17-27)52(48,49)42-32-18-21-37-35(23-32)39(46)44(29(3)26-45)24-28(2)38(50-22-9-8-11-30(4)51-37)25-43(5)40(47)41-36-15-10-13-31-12-6-7-14-34(31)36/h6-7,10,12-21,23,28-30,38,42,45H,8-9,11,22,24-26H2,1-5H3,(H,41,47)/t28-,29-,30+,38+/m0/s1
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| InChIKey |
USSUINMNPXSLJL-VLGWTIBNSA-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