General Information of the Compound
| Compound ID |
CP0864704
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| Compound Name |
5-(4-(4-(4-chlorophenyl)piperazin-1-yl)butoxy)-4,7-dimethyl-2H-chromen-2-one
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| Structure |
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| Formula |
C25H29ClN2O3
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| Molecular Weight |
440.971
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| Canonical SMILES |
Cc1cc(OCCCCN2CCN(c3ccc(Cl)cc3)CC2)c2c(C)cc(=O)oc2c1
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| InChI |
InChI=1S/C25H29ClN2O3/c1-18-15-22(25-19(2)17-24(29)31-23(25)16-18)30-14-4-3-9-27-10-12-28(13-11-27)21-7-5-20(26)6-8-21/h5-8,15-17H,3-4,9-14H2,1-2H3
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| InChIKey |
VFTFYUVCTQLNCS-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