General Information of the Compound
| Compound ID |
CP0701210
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| Compound Name |
Naphthalene-2-carboxylic acid {4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-cyclohexyl}-amide
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| Formula |
C29H32ClN3O
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| Molecular Weight |
474.048
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| Canonical SMILES |
Cl.N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)C2
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| InChI |
InChI=1S/C29H31N3O.ClH/c30-19-22-5-8-27-20-32(16-14-25(27)17-22)15-13-21-6-11-28(12-7-21)31-29(33)26-10-9-23-3-1-2-4-24(23)18-26;/h1-5,8-10,17-18,21,28H,6-7,11-16,20H2,(H,31,33);1H/t21-,28-;
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| InChIKey |
QSGPKQOEFRHVCP-OULLVITASA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor