General Information of the Compound
| Compound ID |
CP0202678
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| Compound Name |
2-anilino-5,5-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
CC1(C)C(=O)N(c2nc(Nc3ccccc3)ncc12)c1ccccc1
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| InChI |
InChI=1S/C20H18N4O/c1-20(2)16-13-21-19(22-14-9-5-3-6-10-14)23-17(16)24(18(20)25)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23)
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| InChIKey |
WSEYPLGYXGUCPX-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