General Information of the Compound
| Compound ID |
CP0412041
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| Compound Name |
2-(1H-Pyrrolo[2,3-b]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C17H17N3
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| Molecular Weight |
263.344
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| Canonical SMILES |
C(N1CCc2ccccc2C1)c1cc2cccnc2[nH]1
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| InChI |
InChI=1S/C17H17N3/c1-2-5-15-11-20(9-7-13(15)4-1)12-16-10-14-6-3-8-18-17(14)19-16/h1-6,8,10H,7,9,11-12H2,(H,18,19)
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| InChIKey |
ZNJRNDKOAPREMV-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
Protein ID: PT01161, D(4) dopamine receptor