General Information of the Compound
| Compound ID |
CP0845984
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| Compound Name |
Methyl 4'-((4-((3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamido)-methyl)piperidin-1-yl)methyl)[1,1'-biphenyl]-2-carboxylate
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| Structure |
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| Formula |
C33H35N3O4
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| Molecular Weight |
537.66
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CN2CCC(CNC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1
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| InChI |
InChI=1S/C33H35N3O4/c1-39-33(38)27-8-3-2-7-26(27)25-13-11-24(12-14-25)22-35-18-15-23(16-19-35)21-34-31(37)30-28-9-4-5-10-29(28)36-17-6-20-40-32(30)36/h2-5,7-14,23H,6,15-22H2,1H3,(H,34,37)
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| InChIKey |
NEKKYMCJXYGHCV-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