General Information of the Compound
| Compound ID |
CP0952068
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| Compound Name |
MOTILIN_060
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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)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN[C@@H](C)C1
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| InChI |
InChI=1S/C24H27FN4O2S/c1-17-11-23(8-5-20(17)16-29-10-9-27-18(2)15-29)28-32(30,31)24-12-21(13-26-14-24)19-3-6-22(25)7-4-19/h3-8,11-14,18,27-28H,9-10,15-16H2,1-2H3/t18-/m0/s1
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| InChIKey |
CWYHDSYRMLUONB-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