General Information of the Compound
| Compound ID |
CP0427781
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| Compound Name |
2-[3-[2-(azepan-1-yl)ethoxy]-4-methoxyphenyl]-5,7-dichloro-3H-isoindol-1-one
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| Structure |
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| Formula |
C23H26Cl2N2O3
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| Molecular Weight |
449.378
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCCCCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
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| InChI |
InChI=1S/C23H26Cl2N2O3/c1-29-20-7-6-18(14-21(20)30-11-10-26-8-4-2-3-5-9-26)27-15-16-12-17(24)13-19(25)22(16)23(27)28/h6-7,12-14H,2-5,8-11,15H2,1H3
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| InChIKey |
KXTOHQQZXQCPKK-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