General Information of the Compound
| Compound ID |
CP0952064
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| Compound Name |
MOTILIN_022
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| Structure |
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
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| InChI |
InChI=1S/C27H29N5O/c1-19-17-32(14-13-29-19)18-21-7-9-24(10-8-21)31(3)27(33)25-11-12-26(30-20(25)2)23-6-4-5-22(15-23)16-28/h4-12,15,19,29H,13-14,17-18H2,1-3H3/t19-/m0/s1
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| InChIKey |
MPPIDYUQROLZOS-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