General Information of the Compound
| Compound ID |
CP0381642
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C25H31N3O2S
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| Molecular Weight |
437.609
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| Canonical SMILES |
COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C25H31N3O2S/c1-30-22-11-4-3-10-21(22)28-16-8-15-27(17-18-28)14-7-6-13-26-25(29)24-19-20-9-2-5-12-23(20)31-24/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,29)
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| InChIKey |
MGLBPQCNRNAVCP-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