General Information of the Compound
| Compound ID |
CP0552009
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| Compound Name |
4-[4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C16H15N5O4
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| Molecular Weight |
341.327
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| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)CCC(O)=O)cc2)c2cc[nH]c2n1
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| InChI |
InChI=1S/C16H15N5O4/c17-16-20-14-11(7-8-18-14)15(21-16)25-10-3-1-9(2-4-10)19-12(22)5-6-13(23)24/h1-4,7-8H,5-6H2,(H,19,22)(H,23,24)(H3,17,18,20,21)
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| InChIKey |
XEDNBDZNGSCZLM-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