General Information of the Compound
| Compound ID |
CP0073585
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| Compound Name |
1-[3-(2-Naphthylsulfonyl)-1H-indazol-5-yl]piperidin-4-amine
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| Structure |
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| Formula |
C22H22N4O2S
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| Molecular Weight |
406.511
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| Canonical SMILES |
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C22H22N4O2S/c23-17-9-11-26(12-10-17)18-6-8-21-20(14-18)22(25-24-21)29(27,28)19-7-5-15-3-1-2-4-16(15)13-19/h1-8,13-14,17H,9-12,23H2,(H,24,25)
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| InChIKey |
OYOYEIIOGFLVQY-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6