General Information of the Compound
| Compound ID |
CP0113334
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| Compound Name |
US10167313, Compound 66
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| Structure |
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| Formula |
C46H62N6O12S
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| Molecular Weight |
923.099
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C46H62N6O12S/c1-30(2)40(43(57)48-34(27-38(53)63-45(3,4)5)20-25-65(59,60)52-21-23-61-24-22-52)51-42(56)36(26-33-19-18-32-16-12-13-17-35(32)47-33)49-41(55)37(28-39(54)64-46(6,7)8)50-44(58)62-29-31-14-10-9-11-15-31/h9-20,25,30,34,36-37,40H,21-24,26-29H2,1-8H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/b25-20+/t34-,36+,37+,40+/m1/s1
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| InChIKey |
GVTFGSNZLNVNEH-GSIBMNKWSA-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