General Information of the Compound
| Compound ID |
CP0497759
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| Compound Name |
US10272079, Compound 93
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| Structure |
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| Formula |
C37H40Cl3N3O6S
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| Molecular Weight |
761.168
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C37H40Cl3N3O6S/c1-43-24-34(33-22-31(39)23-36(40)35(33)25-43)29-3-2-4-32(21-29)50(45,46)42-14-16-48-18-20-49-19-17-47-15-13-41-37(44)28-7-5-26(6-8-28)27-9-11-30(38)12-10-27/h2-12,21-23,34,42H,13-20,24-25H2,1H3,(H,41,44)/t34-/m0/s1
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| InChIKey |
ZSOPGSGGPJERCU-UMSFTDKQSA-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