General Information of the Compound
| Compound ID |
CP0434177
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| Compound Name |
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COc1cccc(OCCN2CCN(CC2)C(=O)c2cc3cccnc3[nH]2)c1
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| InChI |
InChI=1S/C21H24N4O3/c1-27-17-5-2-6-18(15-17)28-13-12-24-8-10-25(11-9-24)21(26)19-14-16-4-3-7-22-20(16)23-19/h2-7,14-15H,8-13H2,1H3,(H,22,23)
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| InChIKey |
PSIMZXQMJNBYKI-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