General Information of the Compound
| Compound ID |
CP0307949
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| Compound Name |
2-anilino-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C14H14N4O
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| Molecular Weight |
254.293
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| Canonical SMILES |
CC1(C)C(=O)Nc2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C14H14N4O/c1-14(2)10-8-15-13(18-11(10)17-12(14)19)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16,17,18,19)
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| InChIKey |
PZRUBYAEITWWDH-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