General Information of the Compound
| Compound ID |
CP0567100
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| Compound Name |
7-methyl-4-[4-(propanoylamino)phenyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C17H17N5O2
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| Molecular Weight |
323.356
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| Canonical SMILES |
CCC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(N)=O
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| InChI |
InChI=1S/C17H17N5O2/c1-3-14(23)21-11-6-4-10(5-7-11)15-12-8-13(16(18)24)22(2)17(12)20-9-19-15/h4-9H,3H2,1-2H3,(H2,18,24)(H,21,23)
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| InChIKey |
GBSRCBQTEFSKDR-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