General Information of the Compound
| Compound ID |
CP0418547
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| Compound Name |
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-benzo[f]isoindole-1,3-dione
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)c3cc4ccccc4cc3C2=O)CC1
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| InChI |
InChI=1S/C27H29N3O3/c1-33-25-11-5-4-10-24(25)29-16-14-28(15-17-29)12-6-7-13-30-26(31)22-18-20-8-2-3-9-21(20)19-23(22)27(30)32/h2-5,8-11,18-19H,6-7,12-17H2,1H3
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| InChIKey |
YAWDPUHJRVVYKE-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