General Information of the Compound
| Compound ID |
CP0412157
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| Compound Name |
[4-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
O=C(N1CCN(CCOc2ccc3OCOc3c2)CC1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C22H23N3O4/c26-22(19-13-16-3-1-2-4-18(16)23-19)25-9-7-24(8-10-25)11-12-27-17-5-6-20-21(14-17)29-15-28-20/h1-6,13-14,23H,7-12,15H2
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| InChIKey |
GDNIDPXEYGAWQX-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