General Information of the Compound
| Compound ID |
CP0384197
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| Compound Name |
3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-ene-4,1-diyl))bis(7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one)
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| Structure |
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| Formula |
C43H51N3O8
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| Molecular Weight |
737.894
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| Canonical SMILES |
COc1ccc(cc1OC)[C@H](C)CN(C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O
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| InChI |
InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m1/s1
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| InChIKey |
WCJGGTAAPIAIJS-BBFPSNOWSA-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: PT06032, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Protein ID: PT06054, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2