General Information of the Compound
| Compound ID |
CP0485406
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| Compound Name |
1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)urea
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| Structure |
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| Formula |
C24H29ClN6O2
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| Molecular Weight |
468.989
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| Canonical SMILES |
CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
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| InChI |
InChI=1S/C24H29ClN6O2/c1-29-11-13-31(14-12-29)15-16-33-23-8-7-20(17-21(23)22-9-10-26-30(22)2)28-24(32)27-19-5-3-18(25)4-6-19/h3-10,17H,11-16H2,1-2H3,(H2,27,28,32)
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| InChIKey |
KWXBBKJZUSKVAU-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