General Information of the Compound
| Compound ID |
CP0384202
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| Compound Name |
3-((Z)-4-(((R)-2-(3,4-dimethoxyphenyl)propyl)(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 |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](C)CN(C)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O
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| InChI |
InChI=1S/C28H36N2O5/c1-20(21-9-10-24(32-3)25(15-21)33-4)19-29(2)12-7-8-13-30-14-11-22-16-26(34-5)27(35-6)17-23(22)18-28(30)31/h7-11,14-17,20H,12-13,18-19H2,1-6H3/b8-7-/t20-/m0/s1
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| InChIKey |
KAZRQWNQMDRZLD-AQWUKCDYSA-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