General Information of the Compound
| Compound ID |
CP0552305
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| Compound Name |
8-chloro-7-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]-4-methylchromen-2-one
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| Formula |
C31H33ClN2O4
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| Molecular Weight |
533.068
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1
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| InChI |
InChI=1S/C31H33ClN2O4/c1-22-21-29(35)38-31-25(22)13-14-28(30(31)32)37-20-6-5-15-33-16-18-34(19-17-33)27-8-4-3-7-26(27)23-9-11-24(36-2)12-10-23/h3-4,7-14,21H,5-6,15-20H2,1-2H3
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| InChIKey |
MDVIWJSZCNVVOD-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