General Information of the Compound
| Compound ID |
CP0122430
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| Compound Name |
8-[4-(2-hydroxyethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C12H11N5O2
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| Molecular Weight |
257.253
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| Canonical SMILES |
OCCc1cnn(c1)-c1nccc2c1nc[nH]c2=O
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| InChI |
InChI=1S/C12H11N5O2/c18-4-2-8-5-16-17(6-8)11-10-9(1-3-13-11)12(19)15-7-14-10/h1,3,5-7,18H,2,4H2,(H,14,15,19)
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| InChIKey |
GSQZSUZKJWHBOL-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