General Information of the Compound
| Compound ID |
CP0944302
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(3-oxo-8-(1,6-diazaspiro[3.3]heptan-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C21H22ClFN6O2
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| Molecular Weight |
444.898
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(N3CCC34CNC4)cccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C21H22ClFN6O2/c1-13(14-4-5-15(22)16(23)9-14)25-18(30)10-29-20(31)27-7-2-3-17(19(27)26-29)28-8-6-21(28)11-24-12-21/h2-5,7,9,13,24H,6,8,10-12H2,1H3,(H,25,30)/t13-/m0/s1
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| InChIKey |
NIJCBXDHOVWCKS-ZDUSSCGKSA-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