General Information of the Compound
| Compound ID |
CP0376894
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| Compound Name |
5-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
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| Structure |
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| Formula |
C24H31N3O5
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| Molecular Weight |
441.528
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| Canonical SMILES |
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H31N3O5/c1-16(26-6-10-30-19-3-4-21-22(14-19)32-15-31-21)11-17-12-18-5-8-27(7-2-9-28)23(18)20(13-17)24(25)29/h3-4,12-14,16,26,28H,2,5-11,15H2,1H3,(H2,25,29)
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| InChIKey |
YSQZTBFNBHORGT-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