General Information of the Compound
| Compound ID |
CP0916580
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| Compound Name |
MOTILIN_031
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| Structure |
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| Formula |
C22H31N5O2S
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| Molecular Weight |
429.59
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1
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| InChI |
InChI=1S/C22H31N5O2S/c1-18-16-26(14-11-23-18)17-19-5-7-20(8-6-19)25-30(28,29)21-9-10-22(24-15-21)27-12-3-2-4-13-27/h5-10,15,18,23,25H,2-4,11-14,16-17H2,1H3/t18-/m0/s1
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| InChIKey |
LRFZHQJZDRLBGA-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