General Information of the Compound
| Compound ID |
CP0772734
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| Compound Name |
US9266835, 54
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| Structure |
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| Formula |
C29H27ClF3N3O4S
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| Molecular Weight |
606.066
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| Canonical SMILES |
COc1ccc(C(c2ccc(Cl)cc2)c2ccc3[nH]c(=O)cc(NC4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)cc1
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| InChI |
InChI=1S/C29H27ClF3N3O4S/c1-40-23-9-4-19(5-10-23)28(18-2-7-21(30)8-3-18)20-6-11-25-24(16-20)26(17-27(37)35-25)34-22-12-14-36(15-13-22)41(38,39)29(31,32)33/h2-11,16-17,22,28H,12-15H2,1H3,(H2,34,35,37)
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| InChIKey |
MBICEAHDHQCQLB-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