General Information of the Compound
| Compound ID |
CP0467468
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| Compound Name |
2-{2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl}isoindoline-1,3-dione
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| Structure |
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| Formula |
C19H20BrN5O3
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| Molecular Weight |
446.305
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| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C19H20BrN5O3/c1-22-12-15(20)16(21-22)19(28)24-9-6-23(7-10-24)8-11-25-17(26)13-4-2-3-5-14(13)18(25)27/h2-5,12H,6-11H2,1H3
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| InChIKey |
BXCPIIVQUYLJHY-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