General Information of the Compound
| Compound ID |
CP0148760
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| Compound Name |
US10167313, Compound 76
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| Structure |
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| Formula |
C32H40N4O12S
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| Molecular Weight |
704.755
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1
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| InChIKey |
HIQKYBKHPZKDSE-LJKYIEEGSA-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