General Information of the Compound
| Compound ID |
CP0387493
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| Compound Name |
11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4-carbaldehyde O-ethyl oxime
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| Structure |
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| Formula |
C22H25ClN2O2
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| Molecular Weight |
384.907
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| Canonical SMILES |
CCO\N=C\c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
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| InChI |
InChI=1S/C22H25ClN2O2/c1-3-27-24-13-15-5-4-6-17-16(15)7-8-20-22(17)18-12-21(26)19(23)11-14(18)9-10-25(20)2/h4-6,11-13,20,22,26H,3,7-10H2,1-2H3/b24-13+/t20-,22+/m0/s1
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| InChIKey |
HSUMSZZOHVUKPB-ROZQTZPBSA-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