General Information of the Compound
| Compound ID |
CP0382490
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| Compound Name |
5-[2-[2-(4-fluoro-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
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| Structure |
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| Formula |
C24H30FN3O4
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| Molecular Weight |
443.519
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| Canonical SMILES |
COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
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| InChI |
InChI=1S/C24H30FN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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| InChIKey |
SCPHBHCWLOVVMW-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