General Information of the Compound
Compound ID |
CP0431438
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Compound Name |
(S)-4-(3-{3-[4-((R)-2-Hydroxy-1-phenyl-ethylamino)-piperidin-1-yl]-propyl}-1H-indol-5-ylmethyl)-oxazolidin-2-one
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Structure |
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Formula |
C28H36N4O3
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Molecular Weight |
476.621
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Canonical SMILES |
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)CC1)c1ccccc1
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InChI |
InChI=1S/C28H36N4O3/c33-18-27(21-5-2-1-3-6-21)30-23-10-13-32(14-11-23)12-4-7-22-17-29-26-9-8-20(16-25(22)26)15-24-19-35-28(34)31-24/h1-3,5-6,8-9,16-17,23-24,27,29-30,33H,4,7,10-15,18-19H2,(H,31,34)/t24-,27-/m0/s1
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InChIKey |
DQJKSFYXHBCHPB-IGKIAQTJSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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