General Information of the Compound
| Compound ID |
CP0515940
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C26H36N4O3
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| Molecular Weight |
452.599
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C26H36N4O3/c1-32-25-7-3-2-6-24(25)30-16-14-28(15-17-30)13-5-4-12-27-26(31)22-8-10-23(11-9-22)29-18-20-33-21-19-29/h2-3,6-11H,4-5,12-21H2,1H3,(H,27,31)
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| InChIKey |
BQJVXLMFXRFJSZ-UHFFFAOYSA-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