General Information of the Compound
| Compound ID |
CP0340549
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| Compound Name |
N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
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| Structure |
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| Formula |
C25H20ClFN6O2
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| Molecular Weight |
490.926
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| Canonical SMILES |
C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1
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| InChI |
InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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| InChIKey |
SCJWBYXWZGMQHS-CQSZACIVSA-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: PT01032, B1 bradykinin receptor
Protein ID: PT02677, B1 bradykinin receptor