General Information of the Compound
| Compound ID |
CP0916748
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| Compound Name |
N-{4-[2-(7-Methanesulfonyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-cyclohexyl}-3-(5-methyl-[1,2,4]oxadiazol-3-yl)-benzamide hydrochloride
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| Formula |
C29H37ClN4O4S
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| Molecular Weight |
573.159
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| Canonical SMILES |
Cc1nc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)no1.Cl
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| InChI |
InChI=1S/C29H36N4O4S.ClH/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38(2,35)36)19-23(22)14-17-33;/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t21-,26-;
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| InChIKey |
JFWQUGRVPYIFIN-GJAKSKTGSA-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