General Information of the Compound
| Compound ID |
CP0396212
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| Compound Name |
N-[[(1R,2R)-2-[(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C25H24N4O
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| Molecular Weight |
396.494
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| Canonical SMILES |
O=C(NC[C@@H]1C[C@H]1CN1CCc2cc(ccc2C1)C#N)c1ccnc2ccccc12
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| InChI |
InChI=1S/C25H24N4O/c26-13-17-5-6-19-15-29(10-8-18(19)11-17)16-21-12-20(21)14-28-25(30)23-7-9-27-24-4-2-1-3-22(23)24/h1-7,9,11,20-21H,8,10,12,14-16H2,(H,28,30)/t20-,21-/m0/s1
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| InChIKey |
RGVDRLWOIWFRFU-SFTDATJTSA-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