General Information of the Compound
| Compound ID |
CP0472802
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| Compound Name |
(2S,11bR)-2-(4-chlorophenyl)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
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| Structure |
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| Formula |
C20H22ClNO2
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| Molecular Weight |
343.854
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| Canonical SMILES |
COc1ccc2[C@H]3C[C@@](O)(CCN3CCc2c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20+/m1/s1
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| InChIKey |
BZGKXGFGDBPNAC-UXHICEINSA-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