General Information of the Compound
| Compound ID |
CP0567102
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| Compound Name |
4-[4-(2,2-dimethylpropanoylamino)phenyl]-7-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)C(C)(C)C)cc1)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C25H32N6O2/c1-25(2,3)24(33)29-18-9-7-17(8-10-18)21-19-15-20(30(4)22(19)28-16-27-21)23(32)26-11-14-31-12-5-6-13-31/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,26,32)(H,29,33)
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| InChIKey |
YBFAZCVRVKUCIT-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