General Information of the Compound
| Compound ID |
CP0268306
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| Compound Name |
2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C22H24N6O5
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| Molecular Weight |
452.471
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| Canonical SMILES |
Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
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| InChI |
InChI=1S/C22H24N6O5/c1-11-14(10-25-19-17(11)18(23)27-22(24)28-19)7-4-12-2-5-13(6-3-12)20(31)26-15(21(32)33)8-9-16(29)30/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
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| InChIKey |
VZPGIYJALNDTGL-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