General Information of the Compound
| Compound ID |
CP0447015
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| Compound Name |
4-[(2-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
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| Structure |
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| Formula |
C14H11N7O
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| Molecular Weight |
293.29
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| Canonical SMILES |
NC(=O)c1ccc(Nc2nc(N)nc3[nH]cc(C#N)c23)cc1
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| InChI |
InChI=1S/C14H11N7O/c15-5-8-6-18-12-10(8)13(21-14(17)20-12)19-9-3-1-7(2-4-9)11(16)22/h1-4,6H,(H2,16,22)(H4,17,18,19,20,21)
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| InChIKey |
SUVDGMAZMCFZFW-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