General Information of the Compound
| Compound ID |
CP0421807
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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-phenyl oxime
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| Structure |
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| Formula |
C26H25ClN2O2
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| Molecular Weight |
432.951
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| Canonical SMILES |
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\Oc3ccccc3)cccc21
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| InChI |
InChI=1S/C26H25ClN2O2/c1-29-13-12-17-14-23(27)25(30)15-22(17)26-21-9-5-6-18(20(21)10-11-24(26)29)16-28-31-19-7-3-2-4-8-19/h2-9,14-16,24,26,30H,10-13H2,1H3/b28-16+/t24-,26+/m0/s1
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| InChIKey |
GTVFZXONQFRIKN-WBBPVWTJSA-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