General Information of the Compound
| Compound ID |
CP0888544
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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 oxime
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| Structure |
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| Formula |
C20H21ClN2O2
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| Molecular Weight |
356.853
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| Canonical SMILES |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21
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| InChI |
InChI=1S/C20H21ClN2O2/c1-23-8-7-12-9-17(21)19(24)10-16(12)20-15-4-2-3-13(11-22-25)14(15)5-6-18(20)23/h2-4,9-11,18,20,24-25H,5-8H2,1H3/b22-11+/t18-,20+/m0/s1
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| InChIKey |
QVUZSJNQXRQOLM-DTKOAWRHSA-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