General Information of the Compound
| Compound ID |
CP0700327
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| Compound Name |
US9045524, 88
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| Structure |
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| Formula |
C34H41N5O11S
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| Molecular Weight |
727.793
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O
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| InChI |
InChI=1S/C34H41N5O11S/c1-20(2)30(33(46)36-23(16-28(40)41)13-14-51(3,48)49)39-32(45)26(15-22-18-35-25-12-8-7-11-24(22)25)37-31(44)27(17-29(42)43)38-34(47)50-19-21-9-5-4-6-10-21/h4-14,18,20,23,26-27,30,35H,15-17,19H2,1-3H3,(H,36,46)(H,37,44)(H,38,47)(H,39,45)(H,40,41)(H,42,43)/b14-13+/t23-,26+,27+,30+/m1/s1
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| InChIKey |
VFANYHPZKZVWGL-ISGROHLWSA-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