General Information of the Compound
| Compound ID |
CP0857937
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| Compound Name |
MOTILIN_032
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| Structure |
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| Formula |
C26H27N5O
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| Molecular Weight |
425.536
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)nc3)cc2)CCN1
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| InChI |
InChI=1S/C26H27N5O/c1-19-17-31(13-12-28-19)18-20-6-9-24(10-7-20)30(2)26(32)23-8-11-25(29-16-23)22-5-3-4-21(14-22)15-27/h3-11,14,16,19,28H,12-13,17-18H2,1-2H3/t19-/m0/s1
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| InChIKey |
ZBPMZOIKLPDAOG-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