General Information of the Compound
| Compound ID |
CP0845987
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| Compound Name |
N-((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-carboxamide
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| Structure |
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| Formula |
C32H33N7O2
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| Molecular Weight |
547.663
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| Canonical SMILES |
O=C(NCC1CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1)c1c2n(c3ccccc13)CCCO2
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| InChI |
InChI=1S/C32H33N7O2/c40-31(29-27-8-3-4-9-28(27)39-16-5-19-41-32(29)39)33-20-22-14-17-38(18-15-22)21-23-10-12-24(13-11-23)25-6-1-2-7-26(25)30-34-36-37-35-30/h1-4,6-13,22H,5,14-21H2,(H,33,40)(H,34,35,36,37)
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| InChIKey |
GYBXYPTXYXLSOH-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: PT01197, Type-1 angiotensin II receptor