General Information of the Compound
| Compound ID |
CP0435351
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| Compound Name |
(6aR)-10,11-dimethoxy-3,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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| Structure |
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| Formula |
C20H23NO2
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| Molecular Weight |
309.409
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| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CCc4c(C)ccc(c34)-c2c1OC
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| InChI |
InChI=1S/C20H23NO2/c1-12-5-7-15-18-13(6-8-17(22-3)20(18)23-4)11-16-19(15)14(12)9-10-21(16)2/h5-8,16H,9-11H2,1-4H3/t16-/m1/s1
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| InChIKey |
AVUWEGVPHVPZJZ-MRXNPFEDSA-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: PT01005, D(2) dopamine receptor