General Information of the Compound
| Compound ID |
CP0870309
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Formula |
C22H24ClFN6O2
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| Molecular Weight |
458.925
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(N3CCC34CN(C)C4)cccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C22H24ClFN6O2/c1-14(15-5-6-16(23)17(24)10-15)25-19(31)11-30-21(32)28-8-3-4-18(20(28)26-30)29-9-7-22(29)12-27(2)13-22/h3-6,8,10,14H,7,9,11-13H2,1-2H3,(H,25,31)/t14-/m0/s1
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| InChIKey |
PGJOBKWNEUVOKP-AWEZNQCLSA-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