General Information of the Compound
| Compound ID |
CP0559735
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| Compound Name |
4-(4-acetamidophenyl)-7-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C22H26N6O2/c1-15(29)26-17-7-5-16(6-8-17)20-18-13-19(27(2)21(18)25-14-24-20)22(30)23-9-12-28-10-3-4-11-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,30)(H,26,29)
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| InChIKey |
PKNUEHBCMNVIHP-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