General Information of the Compound
| Compound ID |
CP0496577
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| Compound Name |
3-(4-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)cc1
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| InChI |
InChI=1S/C25H33N3O3/c1-30-22-12-9-21(10-13-22)11-14-25(29)26-15-5-6-16-27-17-19-28(20-18-27)23-7-3-4-8-24(23)31-2/h3-4,7-14H,5-6,15-20H2,1-2H3,(H,26,29)/b14-11+
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| InChIKey |
PWYAMFWGADVMGC-SDNWHVSQSA-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