General Information of the Compound
| Compound ID |
CP0376904
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| Compound Name |
5-[2-[2-(2,6-dimethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
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| Structure |
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| Formula |
C25H35N3O3
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| Molecular Weight |
425.573
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| Canonical SMILES |
CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cccc1C
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| InChI |
InChI=1S/C25H35N3O3/c1-17-6-4-7-18(2)24(17)31-13-9-27-19(3)14-20-15-21-8-11-28(10-5-12-29)23(21)22(16-20)25(26)30/h4,6-7,15-16,19,27,29H,5,8-14H2,1-3H3,(H2,26,30)
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| InChIKey |
NQJAQUQDUQZJDT-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