General Information of the Compound
Compound ID |
CP0219426
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Compound Name |
US9266835, 541
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Structure |
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Formula |
C28H24Cl2F3N3O3S
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Molecular Weight |
610.485
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Canonical SMILES |
Oc1cc(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/C28H24Cl2F3N3O3S/c29-20-5-1-17(2-6-20)26(18-3-7-21(30)8-4-18)19-15-23-24(9-12-34-27(23)25(37)16-19)35-22-10-13-36(14-11-22)40(38,39)28(31,32)33/h1-9,12,15-16,22,26,37H,10-11,13-14H2,(H,34,35)
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InChIKey |
PYASDRWFWNUQCN-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