General Information of the Compound
| Compound ID |
CP0553766
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| Compound Name |
4-[6-(4-amino-piperidin-1-yl)-4- methyl-5-oxo-3-p-tolyl-4,5- dihydro-pyrazin-2-yl]-2-fluoro- benzonitrile
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| Structure |
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| Formula |
C24H24FN5O
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| Molecular Weight |
417.488
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| Canonical SMILES |
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
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| InChI |
InChI=1S/C24H24FN5O/c1-15-3-5-16(6-4-15)22-21(17-7-8-18(14-26)20(25)13-17)28-23(24(31)29(22)2)30-11-9-19(27)10-12-30/h3-8,13,19H,9-12,27H2,1-2H3
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| InChIKey |
BZQUYIKUKRZLHE-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