General Information of the Compound
| Compound ID |
CP0421806
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| Compound Name |
(6aS,13bS)-methyl 11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4-carboxylate
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| Structure |
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| Formula |
C21H22ClNO3
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| Molecular Weight |
371.864
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| Canonical SMILES |
COC(=O)c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
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| InChI |
InChI=1S/C21H22ClNO3/c1-23-9-8-12-10-17(22)19(24)11-16(12)20-14-4-3-5-15(21(25)26-2)13(14)6-7-18(20)23/h3-5,10-11,18,20,24H,6-9H2,1-2H3/t18-,20+/m0/s1
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| InChIKey |
TZMNVWQJGVVEND-AZUAARDMSA-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: PT01161, D(4) dopamine receptor