General Information of the Compound
| Compound ID |
CP0380682
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| Compound Name |
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
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| Structure |
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| Formula |
C20H16ClN7O
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| Molecular Weight |
405.849
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
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| InChI |
InChI=1S/C20H16ClN7O/c21-14-6-4-13(5-7-14)16-11-17(24-23-16)20(29)27-9-10-28-18(12-27)25-26-19(28)15-3-1-2-8-22-15/h1-8,11H,9-10,12H2,(H,23,24)
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| InChIKey |
JAGQWANPYNJYDI-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