General Information of the Compound
| Compound ID |
CP0561890
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| Compound Name |
7-methyl-4-[4-(propanoylamino)phenyl]-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
CCC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C23H28N6O2/c1-3-20(30)27-17-8-6-16(7-9-17)21-18-14-19(28(2)22(18)26-15-25-21)23(31)24-10-13-29-11-4-5-12-29/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,31)(H,27,30)
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| InChIKey |
RQMHEIBGIMINQX-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