General Information of the Compound
| Compound ID |
CP0415351
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| Compound Name |
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
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| Synonyms |
(S)-3-(3-(((3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
155974-00-8
3H48L0LPZQ
7,8-Dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one
C27H36N2O5
CHEBI:85966
CHEMBL471737
Corlanor
Corlentor
Ivabradine
Ivabradine [INN]
Procoralan
S 16257
S 16257-2
S-16257
S-16257-2
S-16260-2
UNII-3H48L0LPZQ
s16257
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| Structure |
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| Formula |
C27H36N2O5
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| Molecular Weight |
468.594
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| Canonical SMILES |
COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC
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| InChI |
InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1
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| InChIKey |
ACRHBAYQBXXRTO-OAQYLSRUSA-N
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| CAS |
148870-61-5
155974-00-8
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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
Clinical Information about the Compound