General Information of the Compound
| Compound ID |
CP0442046
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| Compound Name |
2-[5-(5-Bromo-2,3-dimethoxy-phenyl)-1H-pyrrol-2-ylmethyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C24H27BrN2O4
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| Molecular Weight |
487.394
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc([nH]3)-c3cc(Br)cc(OC)c3OC)Cc2cc1OC
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| InChI |
InChI=1S/C24H27BrN2O4/c1-28-21-9-15-7-8-27(13-16(15)10-22(21)29-2)14-18-5-6-20(26-18)19-11-17(25)12-23(30-3)24(19)31-4/h5-6,9-12,26H,7-8,13-14H2,1-4H3
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| InChIKey |
NSOZZCMSSAVDQC-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor