General Information of the Compound
| Compound ID |
CP0428513
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| Compound Name |
N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C27H39N3O4
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| Molecular Weight |
469.626
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| Canonical SMILES |
CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
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| InChI |
InChI=1S/C27H39N3O4/c1-3-33-19-20-34-22-23-11-12-25(26(21-23)32-2)30-17-15-29(16-18-30)14-8-7-13-28-27(31)24-9-5-4-6-10-24/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,28,31)
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| InChIKey |
CYHIQHDBFGBIFJ-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
Protein ID: PT01161, D(4) dopamine receptor