General Information of the Compound
| Compound ID |
CP0480630
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| Compound Name |
(R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-amino)-2-phenyl-ethanol
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| Structure |
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| Formula |
C28H36N6O
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| Molecular Weight |
472.637
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| Canonical SMILES |
CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](CO)c1ccccc1
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| InChI |
InChI=1S/C28H36N6O/c1-32(28(19-35)23-6-3-2-4-7-23)18-22-11-14-33(15-12-22)13-5-8-24-17-29-27-10-9-25(16-26(24)27)34-20-30-31-21-34/h2-4,6-7,9-10,16-17,20-22,28-29,35H,5,8,11-15,18-19H2,1H3/t28-/m0/s1
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| InChIKey |
LUHMTHZMSOUWSU-NDEPHWFRSA-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