General Information of the Compound
| Compound ID |
CP0542631
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| Compound Name |
N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(difluoromethoxy)pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H16F3N7O2
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| Molecular Weight |
455.4
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| Canonical SMILES |
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
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| InChI |
InChI=1S/C21H16F3N7O2/c1-21(10-31-17(18(26)29-21)7-12(8-25)30-31)14-6-11(2-4-15(14)22)28-19(32)16-5-3-13(9-27-16)33-20(23)24/h2-7,9,20H,10H2,1H3,(H2,26,29)(H,28,32)/t21-/m0/s1
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| InChIKey |
JXQACBKQPQKDBW-NRFANRHFSA-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
Protein ID: PT01151, Amyloid-beta precursor protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2