General Information of the Compound
| Compound ID |
CP0556471
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| Compound Name |
US8987445, 211
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| Structure |
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| Formula |
C23H17ClF3N3O5S
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| Molecular Weight |
539.919
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| Canonical SMILES |
Cn1ccc2c(ncc(Cl)c12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H17ClF3N3O5S/c1-29-11-10-18-20(29)19(24)12-28-21(18)30(13-14-2-6-16(7-3-14)35-23(25,26)27)36(33,34)17-8-4-15(5-9-17)22(31)32/h2-12H,13H2,1H3,(H,31,32)
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| InChIKey |
NKJTUVOALOGKPM-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