General Information of the Compound
| Compound ID |
CP0562155
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| Compound Name |
US9067935, 110
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| Structure |
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| Formula |
C24H19ClF3N3O5S
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| Molecular Weight |
553.946
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccc(Cl)cn2c1C
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| InChI |
InChI=1S/C24H19ClF3N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3
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| InChIKey |
QPEMNZWNPVSZDN-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