General Information of the Compound
| Compound ID |
CP0418473
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| Compound Name |
2-(3-cyanophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
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| Structure |
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| Formula |
C26H21F2N5O2
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| Molecular Weight |
473.483
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(c2)C#N)c2ccccn2)c1
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| InChI |
InChI=1S/C26H21F2N5O2/c27-18-13-19(28)15-20(14-18)31-25(35)32-10-7-26(8-11-32)23(22-6-1-2-9-30-22)33(24(26)34)21-5-3-4-17(12-21)16-29/h1-6,9,12-15,23H,7-8,10-11H2,(H,31,35)
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| InChIKey |
HFAPBMCMVMGMST-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