General Information of the Compound
| Compound ID |
CP0399952
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| Compound Name |
5,7-dichloro-2-[3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-4-methoxyphenyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H28Cl2N2O3
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| Molecular Weight |
463.405
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| Canonical SMILES |
COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
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| InChI |
InChI=1S/C24H28Cl2N2O3/c1-15-5-4-6-16(2)27(15)9-10-31-22-13-19(7-8-21(22)30-3)28-14-17-11-18(25)12-20(26)23(17)24(28)29/h7-8,11-13,15-16H,4-6,9-10,14H2,1-3H3/t15-,16+
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| InChIKey |
CUWRBQDVHWDJCB-IYBDPMFKSA-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