General Information of the Compound
| Compound ID |
CP0845983
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| Compound Name |
4'-((4-(((3,4-Dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyl)oxy)methyl)piperidin-1-yl)methyl)[1,1'-biphenyl]-2-carboxylic acid methanesulfonate
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| Structure |
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| Formula |
C33H36N2O8S
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| Molecular Weight |
620.724
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| Canonical SMILES |
CS(=O)(=O)O.O=C(O)c1ccccc1-c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1
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| InChI |
InChI=1S/C32H32N2O5.CH4O3S/c35-31(36)26-7-2-1-6-25(26)24-12-10-22(11-13-24)20-33-17-14-23(15-18-33)21-39-32(37)29-27-8-3-4-9-28(27)34-16-5-19-38-30(29)34;1-5(2,3)4/h1-4,6-13,23H,5,14-21H2,(H,35,36);1H3,(H,2,3,4)
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| InChIKey |
JHPRTZIJFXCEMC-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