General Information of the Compound
| Compound ID |
CP0515780
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H29N3O4/c1-28-20-7-3-2-6-19(20)26-14-12-25(13-15-26)11-5-4-10-24-23(27)18-8-9-21-22(16-18)30-17-29-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
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| InChIKey |
UBPODDPFCZVNDC-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