General Information of the Compound
| Compound ID |
CP0473765
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| Compound Name |
1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C24H30ClN5O2
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| Molecular Weight |
455.99
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
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| InChI |
InChI=1S/C24H30ClN5O2/c1-4-30(5-2)15-6-16-32-23-12-11-20(17-21(23)22-13-14-26-29(22)3)28-24(31)27-19-9-7-18(25)8-10-19/h7-14,17H,4-6,15-16H2,1-3H3,(H2,27,28,31)
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| InChIKey |
JFZAEBICGWMIMH-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C