General Information of the Compound
| Compound ID |
CP0961288
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| Compound Name |
MOTILIN_071
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| Structure |
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| Formula |
C28H39FN4O
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| Molecular Weight |
466.645
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1
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| InChI |
InChI=1S/C28H39FN4O/c1-20-17-32(18-21(2)30-20)19-22-8-10-23(11-9-22)28(3,4)27(34)33-14-12-25(13-15-33)31-26-7-5-6-24(29)16-26/h5-11,16,20-21,25,30-31H,12-15,17-19H2,1-4H3/t20-,21+
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| InChIKey |
JDOLWIHTMQMIEA-OYRHEFFESA-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