General Information of the Compound
| Compound ID |
CP0412307
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| Compound Name |
6-[2-[4-(2,2-dimethyl-3H-1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H29N3O3
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| Molecular Weight |
407.514
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| Canonical SMILES |
CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
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| InChI |
InChI=1S/C24H29N3O3/c1-24(2)15-18-4-3-5-20(23(18)30-24)27-12-10-26(11-13-27)9-8-17-6-7-21-19(14-17)25-22(28)16-29-21/h3-7,14H,8-13,15-16H2,1-2H3,(H,25,28)
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| InChIKey |
SPYRKRZLYSXVFE-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00871, Sodium-dependent serotonin transporter