General Information of the Compound
| Compound ID |
CP0425240
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| Compound Name |
6-[(2R)-2-hydroxy-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propoxy]-2-methyl-4H-1,4-benzoxazin-3-one
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| Formula |
C29H33N3O5
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| Molecular Weight |
503.599
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc3OC(C)C(=O)Nc3c2)CC1
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| InChI |
InChI=1S/C29H33N3O5/c1-20-29(34)30-26-17-24(11-12-28(26)37-20)36-19-22(33)18-31-13-15-32(16-14-31)27-6-4-3-5-25(27)21-7-9-23(35-2)10-8-21/h3-12,17,20,22,33H,13-16,18-19H2,1-2H3,(H,30,34)/t20?,22-/m1/s1
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| InChIKey |
YUNPDMDMVYVIBH-LWMIZPGFSA-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