General Information of the Compound
| Compound ID |
CP0862246
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| Compound Name |
[4-(3-Carbamoylphenyl)phenyl]N-[4-[4-(2-Methoxyphenyl)-piperazin-1-yl]butyl]carbamate Hydrochloride
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| Structure |
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| Formula |
C29H35ClN4O4
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| Molecular Weight |
539.076
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(-c3cccc(C(N)=O)c3)cc2)CC1.Cl
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| InChI |
InChI=1S/C29H34N4O4.ClH/c1-36-27-10-3-2-9-26(27)33-19-17-32(18-20-33)16-5-4-15-31-29(35)37-25-13-11-22(12-14-25)23-7-6-8-24(21-23)28(30)34;/h2-3,6-14,21H,4-5,15-20H2,1H3,(H2,30,34)(H,31,35);1H
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| InChIKey |
URLRSAIUSUXDOJ-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