General Information of the Compound
| Compound ID |
CP0279473
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| Compound Name |
US9266835, 542
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| Structure |
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| Formula |
C32H33Cl2F3N4O3S
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| Molecular Weight |
681.608
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| Canonical SMILES |
NCCCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H33Cl2F3N4O3S/c33-24-7-3-21(4-8-24)30(22-5-9-25(34)10-6-22)23-19-27-28(11-15-39-31(27)29(20-23)44-18-2-1-14-38)40-26-12-16-41(17-13-26)45(42,43)32(35,36)37/h3-11,15,19-20,26,30H,1-2,12-14,16-18,38H2,(H,39,40)
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| InChIKey |
XOJOKBDIFSTHPN-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