General Information of the Compound
| Compound ID |
CP0445345
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| Compound Name |
N-[4-[4-[(2-methoxyphenyl)-phenylmethyl]piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C31H35N3O2S
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| Molecular Weight |
513.707
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| Canonical SMILES |
COc1ccccc1C(N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1)c1ccccc1
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| InChI |
InChI=1S/C31H35N3O2S/c1-36-27-15-7-6-14-26(27)30(24-11-3-2-4-12-24)34-21-19-33(20-22-34)18-10-9-17-32-31(35)29-23-25-13-5-8-16-28(25)37-29/h2-8,11-16,23,30H,9-10,17-22H2,1H3,(H,32,35)
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| InChIKey |
GUWMGLWQORYQFJ-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