General Information of the Compound
| Compound ID |
CP0957586
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| Compound Name |
MOTILIN_053
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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 |
Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1
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| InChI |
InChI=1S/C24H27FN4O2S/c1-17-13-22(8-5-20(17)16-29-12-11-26-18(2)15-29)28-32(30,31)23-9-10-24(27-14-23)19-3-6-21(25)7-4-19/h3-10,13-14,18,26,28H,11-12,15-16H2,1-2H3/t18-/m0/s1
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| InChIKey |
KONOODNIXTZVKZ-SFHVURJKSA-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