General Information of the Compound
| Compound ID |
CP0082354
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| Compound Name |
2-{2-Hydroxy-3-[2-(1H-indol-3-yl)-1,1-dimethyl-ethylamino]-propoxy}-benzamide
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| Synonyms |
2-(2-Hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)benzonitrile
2-[2-Hydroxy-3-[2-(indol-3-yl)-1,1-dimethylethylamino]propoxy]benzonitrile
2-[2-Hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]benzonitrile
71119-11-4
BUCINDOLOL
Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-
Bucindolol
Bucindolol [INN:BAN]
Bucindololum
Bucindololum [INN-Latin]
C22H25N3O2
CHEMBL321582
DSSTox_CID_26744
DSSTox_GSID_46744
DSSTox_RID_81872
NCGC00167817-01
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
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| InChI |
InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3
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| InChIKey |
FBMYKMYQHCBIGU-UHFFFAOYSA-N
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| CAS |
71119-11-4
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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: PT06109, Geminin
Protein ID: PT03795, Solute carrier family 22 member 1
Clinical Information about the Compound