General Information of the Compound
| Compound ID |
CP0549589
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| Compound Name |
[3-ethoxy-4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C21H25N5O4
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| Molecular Weight |
411.462
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| Canonical SMILES |
CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C21H25N5O4/c1-3-29-17-13-14(20(27)26-9-11-28-12-10-26)5-6-16(17)23-21-24-18-15(7-8-22-18)19(25-21)30-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H2,22,23,24,25)
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| InChIKey |
XCQZSMPJFKRMEC-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