General Information of the Compound
| Compound ID |
CP0399332
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| Compound Name |
5-[2-[2-(2-bromo-4-fluorophenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
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| Structure |
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| Formula |
C23H29BrFN3O3
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| Molecular Weight |
494.405
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| Canonical SMILES |
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1Br
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| InChI |
InChI=1S/C23H29BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-4,12-15,27,29H,2,5-11H2,1H3,(H2,26,30)
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| InChIKey |
QJJQUQTVHNLXRY-UHFFFAOYSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor