General Information of the Compound
| Compound ID |
CP0065125
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| Compound Name |
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide
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| Structure |
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| Formula |
C26H26Cl2N4O2
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| Molecular Weight |
497.426
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| Canonical SMILES |
[O-][n+]1ccccc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H26Cl2N4O2/c27-22-6-5-8-24(25(22)28)31-18-16-30(17-19-31)14-4-2-13-29-26(33)21-11-9-20(10-12-21)23-7-1-3-15-32(23)34/h1-12,15H,13-14,16-19H2,(H,29,33)/b4-2+
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| InChIKey |
MYAGOYYEDQFEPL-DUXPYHPUSA-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