General Information of the Compound
| Compound ID |
CP0857938
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| Compound Name |
MOTILIN_049
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1
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| InChI |
InChI=1S/C26H30N4O2/c1-19-17-30(14-13-27-19)18-20-7-10-23(11-8-20)29(2)26(31)25-12-9-22(16-28-25)21-5-4-6-24(15-21)32-3/h4-12,15-16,19,27H,13-14,17-18H2,1-3H3/t19-/m0/s1
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| InChIKey |
OYTPGCLNCDKBGA-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