General Information of the Compound
| Compound ID |
CP0424883
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-(oxetan-3-yl)benzamide
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| Formula |
C23H27Cl2N3O2
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| Molecular Weight |
448.394
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCN(C3COC3)C(=O)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C23H27Cl2N3O2/c24-20-8-4-9-21(22(20)25)27-14-12-26(13-15-27)10-5-11-28(19-16-30-17-19)23(29)18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2
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| InChIKey |
QNARIGRIJHAUAQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor