General Information of the Compound
| Compound ID |
CP0345915
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| Compound Name |
3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
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| Synonyms |
SB-216469
152735-23-4
4H-1-Benzopyran-8-carboxamide,N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-2-phenyl-
AC1L3XX2
ACMC-20n6iu
AKOS030553705
BDBM50057465
CHEMBL278865
CTK4C7558
DTXSID70165115
GTPL496
L000508
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
REC-15-2739
REC-15-2869
REC-15-3011
REC-22/009
Rec 15-2739
Rec 15/2739
Rec-15-2739
SB 216469
SB 216469-S
SCHEMBL6638869
TXG28R7G4Y
UNII-TXG28R7G4Y
UPIDOSIN
Upidosin
Upidosin [INN]
ZINC3796141
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| Structure |
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| Formula |
C31H33N3O4
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| Molecular Weight |
511.622
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
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| InChI |
InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
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| InChIKey |
DUCNHKDCVVSJLG-UHFFFAOYSA-N
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| CAS |
152735-23-4
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Clinical Information about the Compound