General Information of the Compound
| Compound ID |
CP0439314
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| Compound Name |
8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
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| InChI |
InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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| InChIKey |
NBCYJDUUVPJJKY-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor