General Information of the Compound
| Compound ID |
CP0386266
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| Compound Name |
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
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| Structure |
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| Formula |
C25H31FN2O
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| Molecular Weight |
394.534
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| Canonical SMILES |
CCCN(CCCCNC(=O)\C=C\c1ccc(F)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C25H31FN2O/c1-2-16-28(24-18-21-7-3-4-8-22(21)19-24)17-6-5-15-27-25(29)14-11-20-9-12-23(26)13-10-20/h3-4,7-14,24H,2,5-6,15-19H2,1H3,(H,27,29)/b14-11+
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| InChIKey |
JSGNRGPOORCANZ-SDNWHVSQSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor