General Information of the Compound
| Compound ID |
CP0479230
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| Compound Name |
N-methyl-N-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H32N6O2S
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| Molecular Weight |
492.649
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| Canonical SMILES |
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H32N6O2S/c1-30(35(33,34)24-7-3-2-4-8-24)18-21-11-14-31(15-12-21)13-5-6-22-17-27-26-10-9-23(16-25(22)26)32-19-28-29-20-32/h2-4,7-10,16-17,19-21,27H,5-6,11-15,18H2,1H3
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| InChIKey |
VKHZOVXQNVSNRR-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D