General Information of the Compound
| Compound ID |
CP0430152
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| Compound Name |
1'-(2,4-difluorophenethyl)-4-oxospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-6-carbonitrile
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| Structure |
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| Formula |
C22H20F2N2O2
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| Molecular Weight |
382.41
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| Canonical SMILES |
Fc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(ccc2O3)C#N)c(F)c1
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| InChI |
InChI=1S/C22H20F2N2O2/c23-17-3-2-16(19(24)12-17)5-8-26-9-6-22(7-10-26)13-20(27)18-11-15(14-25)1-4-21(18)28-22/h1-4,11-12H,5-10,13H2
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| InChIKey |
QDSYELYTTVSDIP-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