General Information of the Compound
| Compound ID |
CP0846113
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| Compound Name |
1-(4-Chlorophenyl)-3-[4-methoxy-3-(2-methyl-2H-pyrazol-3-yl)-phenyl]urea
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| Structure |
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| Formula |
C18H17ClN4O2
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| Molecular Weight |
356.813
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
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| InChI |
InChI=1S/C18H17ClN4O2/c1-23-16(9-10-20-23)15-11-14(7-8-17(15)25-2)22-18(24)21-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,21,22,24)
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| InChIKey |
VCHNOCSZCQRIQZ-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