General Information of the Compound
| Compound ID |
CP0376896
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| Compound Name |
5-[2-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
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| Structure |
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| Formula |
C27H34F3N3O4
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| Molecular Weight |
521.58
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| Canonical SMILES |
CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3n(CCCO)ccc3c2)c1
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| InChI |
InChI=1S/C27H34F3N3O4/c1-3-19-5-6-23(37-17-27(28,29)30)24(16-19)36-12-8-32-18(2)13-20-14-21-7-10-33(9-4-11-34)25(21)22(15-20)26(31)35/h5-7,10,14-16,18,32,34H,3-4,8-9,11-13,17H2,1-2H3,(H2,31,35)
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| InChIKey |
PRXOMQQBQYMDMK-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