General Information of the Compound
| Compound ID |
CP0510882
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| Compound Name |
4-[4-(2,2-dimethylpropanoylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)C(C)(C)C)cc1)C(N)=O
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| InChI |
InChI=1S/C19H21N5O2/c1-19(2,3)18(26)23-12-7-5-11(6-8-12)15-13-9-14(16(20)25)24(4)17(13)22-10-21-15/h5-10H,1-4H3,(H2,20,25)(H,23,26)
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| InChIKey |
XDVAZFKKAPLYBJ-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