General Information of the Compound
| Compound ID |
CP0484588
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| Compound Name |
[4-[[6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate
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| Structure |
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| Formula |
C27H39N3O4S
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| Molecular Weight |
501.693
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| Canonical SMILES |
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
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| InChI |
InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
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| InChIKey |
JVGOJMPFDKELFD-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor