General Information of the Compound
| Compound ID |
CP0286394
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| Compound Name |
N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
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| InChI |
InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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| InChIKey |
RHBHHAJRAODTML-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