General Information of the Compound
| Compound ID |
CP0191016
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| Compound Name |
5,5-dimethyl-7-[(1S)-1-phenylethyl]-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1
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| InChI |
InChI=1S/C21H21N5O/c1-14(15-8-5-4-6-9-15)26-18-17(21(2,3)19(26)27)13-23-20(25-18)24-16-10-7-11-22-12-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1
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| InChIKey |
LNCUDNJUDSTTIM-AWEZNQCLSA-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