General Information of the Compound
| Compound ID |
CP0450287
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| Compound Name |
US8987445, 172
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| Structure |
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| Formula |
C27H22ClF3N2O5S
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| Molecular Weight |
578.996
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(c(Cl)c1)C(C)(O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H22ClF3N2O5S/c1-16-21-6-4-3-5-19(21)14-32-24(16)33(39(37,38)20-10-8-18(9-11-20)25(34)35)15-17-7-12-22(23(28)13-17)26(2,36)27(29,30)31/h3-14,36H,15H2,1-2H3,(H,34,35)
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| InChIKey |
KEEVAZCTVFZEMK-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