General Information of the Compound
| Compound ID |
CP0382487
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| Compound Name |
1-(3-hydroxypropyl)-5-[2-[2-(2,3,6-trimethylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
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| Structure |
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| Formula |
C26H37N3O3
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| Molecular Weight |
439.6
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| Canonical SMILES |
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)ccc(C)c1C
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| InChI |
InChI=1S/C26H37N3O3/c1-17-6-7-18(2)25(20(17)4)32-13-9-28-19(3)14-21-15-22-8-11-29(10-5-12-30)24(22)23(16-21)26(27)31/h6-7,15-16,19,28,30H,5,8-14H2,1-4H3,(H2,27,31)
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| InChIKey |
DUOWUNJYYPBDOW-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