General Information of the Compound
| Compound ID |
CP0420447
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| Compound Name |
bis[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C35H34F2N2O5
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| Molecular Weight |
600.662
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3ccc(F)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1
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| InChI |
InChI=1S/C35H34F2N2O5/c1-41-29-17-23-13-15-38(33(27(23)19-31(29)43-3)21-5-9-25(36)10-6-21)35(40)39-16-14-24-18-30(42-2)32(44-4)20-28(24)34(39)22-7-11-26(37)12-8-22/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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| InChIKey |
BHCFMOBCNHFBGR-HEVIKAOCSA-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: PT00633, Heat sensitive channel TRPV3
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4