General Information of the Compound
| Compound ID |
CP0636825
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| Compound Name |
Adamantan-1-yl-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-amine
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| Structure |
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| Formula |
C25H29N
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| Molecular Weight |
343.514
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| Canonical SMILES |
c1ccc2c(c1)CCc1ccccc1C2NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C25H29N/c1-3-7-22-20(5-1)9-10-21-6-2-4-8-23(21)24(22)26-25-14-17-11-18(15-25)13-19(12-17)16-25/h1-8,17-19,24,26H,9-16H2
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| InChIKey |
RJFOVFCXHRHCLY-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: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7