General Information of the Compound
| Compound ID |
CP0387492
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| Compound Name |
(6aS,13bS)-11-chloro-4-(4-(dimethylamino)phenyl)-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
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| Structure |
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| Formula |
C27H29ClN2O
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| Molecular Weight |
432.995
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31
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| InChI |
InChI=1S/C27H29ClN2O/c1-29(2)19-9-7-17(8-10-19)20-5-4-6-22-21(20)11-12-25-27(22)23-16-26(31)24(28)15-18(23)13-14-30(25)3/h4-10,15-16,25,27,31H,11-14H2,1-3H3/t25-,27+/m0/s1
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| InChIKey |
KMTWVLYZPPJEHR-AHKZPQOWSA-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