General Information of the Compound
| Compound ID |
CP0898647
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(7-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Formula |
C18H17ClFN5O2
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| Molecular Weight |
389.818
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(C3CC3)cnn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C18H17ClFN5O2/c1-10(12-4-5-14(19)15(20)6-12)22-17(26)9-24-18(27)25-16(23-24)7-13(8-21-25)11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,22,26)/t10-/m0/s1
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| InChIKey |
FGELCXMDRNZDIQ-JTQLQIEISA-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