General Information of the Compound
| Compound ID |
CP0868272
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| Compound Name |
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-(4-nitro-phenyl)-acrylamideoxalic acid
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| Structure |
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| Formula |
C26H32N4O8
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| Molecular Weight |
528.562
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H30N4O4.C2H2O4/c1-32-23-7-3-2-6-22(23)27-18-16-26(17-19-27)15-5-4-14-25-24(29)13-10-20-8-11-21(12-9-20)28(30)31;3-1(4)2(5)6/h2-3,6-13H,4-5,14-19H2,1H3,(H,25,29);(H,3,4)(H,5,6)/b13-10+;
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| InChIKey |
MOXMIFPWNKAOTO-RSGUCCNWSA-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