General Information of the Compound
| Compound ID |
CP0382925
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| Compound Name |
2-chloro-N-(6-(4-(chloromethyl)-6-hydroxypyrimidin-2-yl)pyridin-3-yl)acetamide
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| Structure |
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| Formula |
C12H10Cl2N4O2
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| Molecular Weight |
313.144
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| Canonical SMILES |
ClCC(=O)Nc1ccc(nc1)-c1nc(CCl)cc(=O)[nH]1
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| InChI |
InChI=1S/C12H10Cl2N4O2/c13-4-8-3-10(19)18-12(17-8)9-2-1-7(6-15-9)16-11(20)5-14/h1-3,6H,4-5H2,(H,16,20)(H,17,18,19)
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| InChIKey |
GMVTYGJRSLQMKG-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