General Information of the Compound
| Compound ID |
CP0393162
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| Compound Name |
3-[2-[4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C22H23N3
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| Molecular Weight |
329.447
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| Canonical SMILES |
C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1
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| InChI |
InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
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| InChIKey |
XVYIADYYFNGCJZ-CMDGGOBGSA-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
Protein ID: PT01161, D(4) dopamine receptor