General Information of the Compound
| Compound ID |
CP0478223
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| Compound Name |
4-(2-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C14H10N6O
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| Molecular Weight |
278.275
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
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| InChI |
InChI=1S/C14H10N6O/c15-5-9-6-18-13-10(9)11(19-14(17)20-13)7-1-3-8(4-2-7)12(16)21/h1-4,6H,(H2,16,21)(H3,17,18,19,20)
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| InChIKey |
GDVQFRBLGOJAFQ-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