General Information of the Compound
| Compound ID |
CP0510881
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| Compound Name |
4-(4-benzamidophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C21H17N5O2
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| Molecular Weight |
371.4
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)c2ccccc2)cc1)C(N)=O
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| InChI |
InChI=1S/C21H17N5O2/c1-26-17(19(22)27)11-16-18(23-12-24-20(16)26)13-7-9-15(10-8-13)25-21(28)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,27)(H,25,28)
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| InChIKey |
LUDJZXVDDBSMKD-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