General Information of the Compound
| Compound ID |
CP0436507
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| Compound Name |
N-(2-fluoroethyl)-N-methyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
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| Structure |
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| Formula |
C21H25FN2
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| Molecular Weight |
324.443
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| Canonical SMILES |
CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1
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| InChI |
InChI=1S/C21H25FN2/c1-16(20-9-5-6-12-23-20)21-18(10-13-24(2)14-11-22)15-17-7-3-4-8-19(17)21/h3-9,12,16H,10-11,13-15H2,1-2H3
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| InChIKey |
YRDKYTTYDOWYLC-UHFFFAOYSA-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: PT01206, Histamine H1 receptor
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