General Information of the Compound
| Compound ID |
CP0713482
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| Compound Name |
2-(4-(2-(4-chlorophenyl)azetidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C20H17ClN6O2
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| Molecular Weight |
408.849
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| Canonical SMILES |
Cc1c(C(=O)N2CCC2c2ccc(Cl)cc2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H17ClN6O2/c1-12-15(19(29)25-10-8-16(25)13-4-6-14(21)7-5-13)11-22-27(12)20-23-18(28)17-3-2-9-26(17)24-20/h2-7,9,11,16H,8,10H2,1H3,(H,23,24,28)
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| InChIKey |
PCSMKPBEPVODOX-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