General Information of the Compound
| Compound ID |
CP0916578
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| Compound Name |
MOTILIN_021
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cc3)cc2)CCN1
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| InChI |
InChI=1S/C26H28FN3O2/c1-19-17-30(15-14-28-19)18-20-6-10-23(11-7-20)29(2)26(31)21-8-12-24(13-9-21)32-25-5-3-4-22(27)16-25/h3-13,16,19,28H,14-15,17-18H2,1-2H3/t19-/m0/s1
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| InChIKey |
ZTLGBFMVWFPEQP-IBGZPJMESA-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