General Information of the Compound
| Compound ID |
CP0169022
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| Compound Name |
US10167313, Compound 57
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| Structure |
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| Formula |
C34H42N4O11S
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| Molecular Weight |
714.794
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1
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| InChIKey |
UPNDCXMMARFRPM-RNDACTHJSA-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