General Information of the Compound
| Compound ID |
CP0845986
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| Compound Name |
(1-((2'-(1H-Tetrazol-5-yl)[1,1'-biphenyl]-4-yl)methyl)piperidin-4-yl)methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate
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| Structure |
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| Formula |
C32H32N6O3
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| Molecular Weight |
548.647
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| Canonical SMILES |
O=C(OCC1CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1)c1c2n(c3ccccc13)CCCO2
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| InChI |
InChI=1S/C32H32N6O3/c39-32(29-27-8-3-4-9-28(27)38-16-5-19-40-31(29)38)41-21-23-14-17-37(18-15-23)20-22-10-12-24(13-11-22)25-6-1-2-7-26(25)30-33-35-36-34-30/h1-4,6-13,23H,5,14-21H2,(H,33,34,35,36)
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| InChIKey |
UTKUAUJCYKQTFS-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: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01197, Type-1 angiotensin II receptor