General Information of the Compound
| Compound ID |
CP0405252
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| Compound Name |
(3E)-N-[2-(dimethylamino)ethyl]-N-methyl-3-(pyridin-3-ylmethylidene)indene-1-carboxamide
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12
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| InChI |
InChI=1S/C21H23N3O/c1-23(2)11-12-24(3)21(25)20-14-17(13-16-7-6-10-22-15-16)18-8-4-5-9-19(18)20/h4-10,13-15H,11-12H2,1-3H3/b17-13+
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| InChIKey |
OPLKWFZZUZVAEU-GHRIWEEISA-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
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5