General Information of the Compound
| Compound ID |
CP0412249
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| Compound Name |
(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H24N4O2
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| Molecular Weight |
364.449
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| Canonical SMILES |
Cc1c([nH]c2ccccc12)C(=O)N1CCN(CCOc2cccnc2)CC1
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| InChI |
InChI=1S/C21H24N4O2/c1-16-18-6-2-3-7-19(18)23-20(16)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15,23H,9-14H2,1H3
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| InChIKey |
VZAPTAUVWQWZDW-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