General Information of the Compound
| Compound ID |
CP0393059
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| Compound Name |
3-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(c2)C#C)CC1
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| InChI |
InChI=1S/C24H29N3O2/c1-3-20-9-8-10-21(19-20)24(28)25-13-6-7-14-26-15-17-27(18-16-26)22-11-4-5-12-23(22)29-2/h1,4-5,8-12,19H,6-7,13-18H2,2H3,(H,25,28)
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| InChIKey |
CQBTYAKAEVDTHI-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