General Information of the Compound
| Compound ID |
CP0557041
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| Compound Name |
6-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]-2-methyl-4H-1,4-benzoxazin-3-one
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| Formula |
C30H35N3O4
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| Molecular Weight |
501.627
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C30H35N3O4/c1-22-30(34)31-27-21-25(13-14-29(27)37-22)36-20-6-5-15-32-16-18-33(19-17-32)28-8-4-3-7-26(28)23-9-11-24(35-2)12-10-23/h3-4,7-14,21-22H,5-6,15-20H2,1-2H3,(H,31,34)
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| InChIKey |
YWHVBZKUIRBJHI-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2