General Information of the Compound
| Compound ID |
CP0466543
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| Compound Name |
(R)-2-{1-[3-(5-Imidazol-1-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-2-phenyl-ethanol
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H33N5O/c33-19-27(21-5-2-1-3-6-21)30-23-10-14-31(15-11-23)13-4-7-22-18-29-26-9-8-24(17-25(22)26)32-16-12-28-20-32/h1-3,5-6,8-9,12,16-18,20,23,27,29-30,33H,4,7,10-11,13-15,19H2/t27-/m0/s1
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| InChIKey |
ZLFLXBCKFALASU-MHZLTWQESA-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