General Information of the Compound
| Compound ID |
CP0377730
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| Compound Name |
(4-methylpiperazin-1-yl)-[(3E)-3-(pyridin-4-ylmethylidene)inden-1-yl]methanone
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12
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| InChI |
InChI=1S/C21H21N3O/c1-23-10-12-24(13-11-23)21(25)20-15-17(14-16-6-8-22-9-7-16)18-4-2-3-5-19(18)20/h2-9,14-15H,10-13H2,1H3/b17-14+
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| InChIKey |
VWJYXQWEMPOSAS-SAPNQHFASA-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