General Information of the Compound
| Compound ID |
CP0321874
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| Compound Name |
US9266835, 140
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| Structure |
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| Formula |
C32H32Cl2F3N3O4S
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| Molecular Weight |
682.592
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| Canonical SMILES |
COCCCc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)cc(=O)[nH]c12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H32Cl2F3N3O4S/c1-44-16-2-3-22-17-23(30(20-4-8-24(33)9-5-20)21-6-10-25(34)11-7-21)18-27-28(19-29(41)39-31(22)27)38-26-12-14-40(15-13-26)45(42,43)32(35,36)37/h4-11,17-19,26,30H,2-3,12-16H2,1H3,(H2,38,39,41)
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| InChIKey |
VWFGURIDIUZDMV-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