General Information of the Compound
| Compound ID |
CP0460397
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| Compound Name |
4-[4-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-1-yl]sulfonylisoquinoline
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
O=S(=O)(N1CCC(CCN2CCN(CC2)c2ccccc2)CC1)c1cncc2ccccc12
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| InChI |
InChI=1S/C26H32N4O2S/c31-33(32,26-21-27-20-23-6-4-5-9-25(23)26)30-14-11-22(12-15-30)10-13-28-16-18-29(19-17-28)24-7-2-1-3-8-24/h1-9,20-22H,10-19H2
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| InChIKey |
RNDTWASJYWHUOI-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
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor