General Information of the Compound
| Compound ID |
CP0277604
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| Compound Name |
3-chloro-2-methoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine
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| Structure |
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| Formula |
C19H20ClNO
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| Molecular Weight |
313.828
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| Canonical SMILES |
COc1cc2C3N(CCc2cc1Cl)CCCc1ccccc31
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| InChI |
InChI=1S/C19H20ClNO/c1-22-18-12-16-14(11-17(18)20)8-10-21-9-4-6-13-5-2-3-7-15(13)19(16)21/h2-3,5,7,11-12,19H,4,6,8-10H2,1H3
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| InChIKey |
CSMHWQDLHDNUCX-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