General Information of the Compound
| Compound ID |
CP0380072
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| Compound Name |
US10272079, Compound 112
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| Structure |
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| Formula |
C37H42Cl3N3O5S
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| Molecular Weight |
747.185
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNCc2ccc(cc2)-c2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C37H42Cl3N3O5S/c1-43-25-35(34-22-32(39)23-37(40)36(34)26-43)30-3-2-4-33(21-30)49(44,45)42-14-16-47-18-20-48-19-17-46-15-13-41-24-27-5-7-28(8-6-27)29-9-11-31(38)12-10-29/h2-12,21-23,35,41-42H,13-20,24-26H2,1H3/t35-/m0/s1
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| InChIKey |
PEPZFSCWJPABRS-DHUJRADRSA-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