General Information of the Compound
| Compound ID |
CP0181307
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| Compound Name |
2-(1-benzylpyrazol-4-yl)oxy-3H-pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C17H13N5O2
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| Molecular Weight |
319.324
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| Canonical SMILES |
O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
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| InChI |
InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
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| InChIKey |
WUATWIOJLCSPRQ-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
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT03543, Lysine-specific demethylase 5C