General Information of the Compound
| Compound ID |
CP0399957
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| Compound Name |
4-chloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C22H25ClN2O3
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| Molecular Weight |
400.906
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(cccc2Cl)C1=O
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| InChI |
InChI=1S/C22H25ClN2O3/c1-27-20-9-8-16(14-21(20)28-13-12-24-10-3-2-4-11-24)25-15-18-17(22(25)26)6-5-7-19(18)23/h5-9,14H,2-4,10-13,15H2,1H3
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| InChIKey |
YYVDDAVCQPNANZ-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C