General Information of the Compound
| Compound ID |
CP0387683
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| Compound Name |
3-((Z)-4-((3,4-dimethoxyphenethyl)(methyl)amino)but-2-enyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one
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| Structure |
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| Formula |
C27H34N2O5
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| Molecular Weight |
466.578
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| Canonical SMILES |
COc1ccc(CCN(C)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC
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| InChI |
InChI=1S/C27H34N2O5/c1-28(14-10-20-8-9-23(31-2)24(16-20)32-3)12-6-7-13-29-15-11-21-17-25(33-4)26(34-5)18-22(21)19-27(29)30/h6-9,11,15-18H,10,12-14,19H2,1-5H3/b7-6-
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| InChIKey |
MNTPOTAUHGJRTD-SREVYHEPSA-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
Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4