General Information of the Compound
| Compound ID |
CP0424102
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| Compound Name |
US9035059, 6-65
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| Structure |
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| Formula |
C35H37F4N3O2S2
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| Molecular Weight |
671.826
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| Canonical SMILES |
Cc1nc(sc1CN1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(CCCC2CCCC2)cc1F)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C35H37F4N3O2S2/c1-23-33(45-34(40-23)26-10-13-29(14-11-26)35(37,38)39)22-42-18-17-27-20-30(15-12-28(27)21-42)46(43,44)41-32-16-9-25(19-31(32)36)8-4-7-24-5-2-3-6-24/h9-16,19-20,24,41H,2-8,17-18,21-22H2,1H3
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| InChIKey |
RQYAWYZPFCUBFM-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