General Information of the Compound
| Compound ID |
CP0228586
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| Compound Name |
2-anilino-5,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
Cn1cc(cn1)N1C(=O)c2nc(Nc3ccccc3)ncc2C1(C)C
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| InChI |
InChI=1S/C18H18N6O/c1-18(2)14-10-19-17(21-12-7-5-4-6-8-12)22-15(14)16(25)24(18)13-9-20-23(3)11-13/h4-11H,1-3H3,(H,19,21,22)
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| InChIKey |
YPECJLXVOHVFQQ-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