General Information of the Compound
| Compound ID |
CP0682686
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| Compound Name |
N-{4-[2-(7-Cyano-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-cyclohexyl}-3-phenyl-acrylamide
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| Formula |
C27H32ClN3O
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| Molecular Weight |
450.026
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| Canonical SMILES |
Cl.N#Cc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccccc3)CC1)CC2
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| InChI |
InChI=1S/C27H31N3O.ClH/c28-19-23-6-10-24-15-17-30(20-25(24)18-23)16-14-22-7-11-26(12-8-22)29-27(31)13-9-21-4-2-1-3-5-21;/h1-6,9-10,13,18,22,26H,7-8,11-12,14-17,20H2,(H,29,31);1H/b13-9+;/t22-,26-;
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| InChIKey |
ZZHVRXFTAGBDQH-HPOKFRIQSA-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