General Information of the Compound
Compound ID |
CP0243591
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Compound Name |
US9266835, 49
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Structure |
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Formula |
C29H26Cl2F3N3O3S
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Molecular Weight |
624.512
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Canonical SMILES |
Cn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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InChI |
InChI=1S/C29H26Cl2F3N3O3S/c1-36-26-11-6-20(28(18-2-7-21(30)8-3-18)19-4-9-22(31)10-5-19)16-24(26)25(17-27(36)38)35-23-12-14-37(15-13-23)41(39,40)29(32,33)34/h2-11,16-17,23,28,35H,12-15H2,1H3
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InChIKey |
MIVBNSWKIKESQP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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