General Information of the Compound
| Compound ID |
CP0452447
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| Compound Name |
5-[2-[2-(4-ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
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| Structure |
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| Formula |
C26H37N3O4
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| Molecular Weight |
455.599
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| Canonical SMILES |
CCc1ccc(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c(OC)c1
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| InChI |
InChI=1S/C26H37N3O4/c1-4-19-6-7-23(24(17-19)32-3)33-13-9-28-18(2)14-20-15-21-8-11-29(10-5-12-30)25(21)22(16-20)26(27)31/h6-7,15-18,28,30H,4-5,8-14H2,1-3H3,(H2,27,31)
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| InChIKey |
PFIXDWMGJBBKLT-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