General Information of the Compound
| Compound ID |
CP0014796
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| Compound Name |
3-[2-[(N-ethyl-4-fluoroanilino)methyl]-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanenitrile
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| Structure |
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| Formula |
C18H18FN5O
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| Molecular Weight |
339.374
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| Canonical SMILES |
CCN(Cc1cc2n(ccn(CCC#N)c2=O)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H18FN5O/c1-2-22(16-6-4-14(19)5-7-16)13-15-12-17-18(25)23(9-3-8-20)10-11-24(17)21-15/h4-7,10-12H,2-3,9,13H2,1H3
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| InChIKey |
SCCZJCOIRVYXNF-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