General Information of the Compound
| Compound ID |
CP0458181
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| Compound Name |
6-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C15H13ClN4O
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| Molecular Weight |
300.749
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| Canonical SMILES |
Clc1cccc(Cc2c([nH]c3ncnn3c2=O)C2CC2)c1
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| InChI |
InChI=1S/C15H13ClN4O/c16-11-3-1-2-9(6-11)7-12-13(10-4-5-10)19-15-17-8-18-20(15)14(12)21/h1-3,6,8,10H,4-5,7H2,(H,17,18,19)
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| InChIKey |
OTRWOBVXEPACEI-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