General Information of the Compound
| Compound ID |
CP0858798
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| Compound Name |
2-Amino-7-benzyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4Hpyrano[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H19N3O2
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| Molecular Weight |
357.413
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| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CN(Cc3ccccc3)C2)C1c1ccccc1
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| InChI |
InChI=1S/C22H19N3O2/c23-11-17-20(16-9-5-2-6-10-16)21-18(26)13-25(14-19(21)27-22(17)24)12-15-7-3-1-4-8-15/h1-10,20H,12-14,24H2
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| InChIKey |
RNOTZWPIQLEUBN-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