General Information of the Compound
| Compound ID |
CP0363247
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| Compound Name |
3-methoxy-8-methyl-5,6,7,8,9,10,11,16-octahydrodibenzo[e,h]azacyclododecene
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
COc1ccc2Cc3ccccc3CCCN(C)CCCc2c1
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| InChI |
InChI=1S/C21H27NO/c1-22-13-5-9-17-7-3-4-8-18(17)15-20-11-12-21(23-2)16-19(20)10-6-14-22/h3-4,7-8,11-12,16H,5-6,9-10,13-15H2,1-2H3
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| InChIKey |
FTEVXGASDTUTGT-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor