General Information of the Compound
| Compound ID |
CP0112109
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| Compound Name |
(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl-amine
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| Structure |
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| Formula |
C14H14N4
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| Molecular Weight |
238.294
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| Canonical SMILES |
Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
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| InChI |
InChI=1S/C14H14N4/c1-9-10(2)17-13-12(9)14(16-8-15-13)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)
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| InChIKey |
CGSZHEPJBCJZLG-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