General Information of the Compound
| Compound ID |
CP0950894
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| Compound Name |
MOTILIN_052
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| Structure |
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| Formula |
C24H27FN4O2S
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| Molecular Weight |
454.571
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@H](C)N1
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| InChI |
InChI=1S/C24H27FN4O2S/c1-17-14-29(15-18(2)27-17)16-19-3-9-22(10-4-19)28-32(30,31)23-11-12-24(26-13-23)20-5-7-21(25)8-6-20/h3-13,17-18,27-28H,14-16H2,1-2H3/t17-,18+
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| InChIKey |
ZQBIGVHINKFVGV-HDICACEKSA-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