General Information of the Compound
| Compound ID |
CP0382956
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| Compound Name |
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
O=C(N1CCN(CCOc2cccnc2)CC1)c1cc2cccnc2[nH]1
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| InChI |
InChI=1S/C19H21N5O2/c25-19(17-13-15-3-1-6-21-18(15)22-17)24-9-7-23(8-10-24)11-12-26-16-4-2-5-20-14-16/h1-6,13-14H,7-12H2,(H,21,22)
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| InChIKey |
LXZRZJUUHTZVBE-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