General Information of the Compound
| Compound ID |
CP0876759
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| Compound Name |
(1-((2'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)methyl)piperidin-4-yl)methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate methanesulfonate
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| Structure |
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| Formula |
C34H38N2O8S
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| Molecular Weight |
634.751
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1.CS(=O)(=O)O
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| InChI |
InChI=1S/C33H34N2O5.CH4O3S/c1-38-32(36)27-8-3-2-7-26(27)25-13-11-23(12-14-25)21-34-18-15-24(16-19-34)22-40-33(37)30-28-9-4-5-10-29(28)35-17-6-20-39-31(30)35;1-5(2,3)4/h2-5,7-14,24H,6,15-22H2,1H3;1H3,(H,2,3,4)
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| InChIKey |
VIUCIGMTDYRZPT-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01197, Type-1 angiotensin II receptor