General Information of the Compound
| Compound ID |
CP0435204
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| Compound Name |
5-methoxy-3-[1-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
COc1cccc(CN2CCC(=CC2)c2c[nH]c3ccc(OC)cc23)c1
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| InChI |
InChI=1S/C22H24N2O2/c1-25-18-5-3-4-16(12-18)15-24-10-8-17(9-11-24)21-14-23-22-7-6-19(26-2)13-20(21)22/h3-8,12-14,23H,9-11,15H2,1-2H3
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| InChIKey |
WJNOYXHHRTXPLU-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor