General Information of the Compound
| Compound ID |
CP0422415
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| Compound Name |
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
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| Structure |
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| Formula |
C27H28ClN3O
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| Molecular Weight |
445.994
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
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| InChI |
InChI=1S/C27H28ClN3O/c28-22-8-5-9-23(17-22)30-14-12-29(13-15-30)19-24-18-27-25-10-3-1-6-20(25)16-21-7-2-4-11-26(21)31(27)32-24/h1-11,17,24,27H,12-16,18-19H2
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| InChIKey |
OZETYYSIKGRYTO-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
Protein ID: PT01206, Histamine H1 receptor