General Information of the Compound
| Compound ID |
CP0518842
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| Compound Name |
US9035059, 18-24
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| Structure |
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| Formula |
C34H35ClFN3O5S
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| Molecular Weight |
652.188
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCOc3cccc(Cl)c3)cc2F)cc1
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| InChI |
InChI=1S/C34H35ClFN3O5S/c1-34(2,3)25-9-11-27(12-10-25)37-33(40)39-21-23-8-14-30(18-24(23)22-39)45(41,42)38-32-15-13-29(20-31(32)36)44-17-5-16-43-28-7-4-6-26(35)19-28/h4,6-15,18-20,38H,5,16-17,21-22H2,1-3H3,(H,37,40)
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| InChIKey |
VTYMTIAZNVJSEP-UHFFFAOYSA-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