General Information of the Compound
| Compound ID |
CP0917751
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| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-3-(3,5-dimethyl-phenyl)-6-(5-methyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-2-oxo-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidinium
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| Structure |
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| Formula |
C30H31ClF3N5O5S
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| Molecular Weight |
666.122
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| Canonical SMILES |
Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4nnc(C)s4)cc3c2OCCC2CCCCN2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C28H30ClN5O3S.C2HF3O2/c1-15-10-16(2)12-18(11-15)24-25(37-9-7-19-6-4-5-8-30-19)21-13-20(22(29)14-23(21)31-27(24)36)26(35)32-28-34-33-17(3)38-28;3-2(4,5)1(6)7/h10-14,19,30H,4-9H2,1-3H3,(H,31,36)(H,32,34,35);(H,6,7)
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| InChIKey |
HODVZFQALGQXQX-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