General Information of the Compound
| Compound ID |
CP0952067
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| Compound Name |
MOTILIN_045
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| Structure |
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| Formula |
C25H27FN4O
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| Molecular Weight |
418.516
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1
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| InChI |
InChI=1S/C25H27FN4O/c1-18-16-30(14-13-27-18)17-19-3-10-23(11-4-19)29(2)25(31)24-12-7-21(15-28-24)20-5-8-22(26)9-6-20/h3-12,15,18,27H,13-14,16-17H2,1-2H3/t18-/m0/s1
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| InChIKey |
MAIRELIWEBXPMN-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