General Information of the Compound
| Compound ID |
CP0558968
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| Compound Name |
(E)-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C12H12N4O
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| Molecular Weight |
228.255
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| Canonical SMILES |
Cn1cc(cn1)-c1ccncc1\C=C\C(N)=O
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| InChI |
InChI=1S/C12H12N4O/c1-16-8-10(7-15-16)11-4-5-14-6-9(11)2-3-12(13)17/h2-8H,1H3,(H2,13,17)/b3-2+
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| InChIKey |
SAMVZXRRXPSQOE-NSCUHMNNSA-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