General Information of the Compound
| Compound ID |
CP0410364
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| Compound Name |
8-chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine
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| Structure |
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| Formula |
C24H23ClN4O
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| Molecular Weight |
418.928
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| Canonical SMILES |
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C24H23ClN4O/c25-19-8-9-22-21(17-19)27-23(20-7-4-11-26-24(20)30-22)29-15-13-28(14-16-29)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2
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| InChIKey |
KMWUPPLGFWGMEM-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor