General Information of the Compound
| Compound ID |
CP0426968
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| Compound Name |
3-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][3]benzazecine
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
COc1ccc2Cc3[nH]c4ccccc4c3CCN(C)CCc2c1
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| InChI |
InChI=1S/C21H24N2O/c1-23-11-9-16-13-17(24-2)8-7-15(16)14-21-19(10-12-23)18-5-3-4-6-20(18)22-21/h3-8,13,22H,9-12,14H2,1-2H3
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| InChIKey |
DKYKQBWPYFTZHN-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor