General Information of the Compound
| Compound ID |
CP0125100
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| Compound Name |
3-[(2,3-dichlorophenyl)methyl]-2-methyl-5-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C18H19Cl2N5O2
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| Molecular Weight |
408.289
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| Canonical SMILES |
CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1
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| InChI |
InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3
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| InChIKey |
XAWLMFFLUSASPB-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