General Information of the Compound
| Compound ID |
CP0901781
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| Compound Name |
4'-((4-((3,4-Dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamido)methyl)piperidin-1-yl)methyl)[1,1'-biphenyl]-2-carboxylic acid
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| Structure |
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| Formula |
C32H33N3O4
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| Molecular Weight |
523.633
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| Canonical SMILES |
O=C(O)c1ccccc1-c1ccc(CN2CCC(CNC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1
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| InChI |
InChI=1S/C32H33N3O4/c36-30(29-27-8-3-4-9-28(27)35-16-5-19-39-31(29)35)33-20-22-14-17-34(18-15-22)21-23-10-12-24(13-11-23)25-6-1-2-7-26(25)32(37)38/h1-4,6-13,22H,5,14-21H2,(H,33,36)(H,37,38)
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| InChIKey |
SHEXWQSFLBWHAH-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