General Information of the Compound
| Compound ID |
CP0460936
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| Compound Name |
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3cc(C)ccc3[nH]2)cc1
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| InChI |
InChI=1S/C23H27N3O3/c1-17-3-8-21-18(15-17)16-22(24-21)23(27)26-11-9-25(10-12-26)13-14-29-20-6-4-19(28-2)5-7-20/h3-8,15-16,24H,9-14H2,1-2H3
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| InChIKey |
YANXWMHYXTZCSA-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