General Information of the Compound
| Compound ID |
CP0943679
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| Compound Name |
N-((S)-1-(4-chloro-3-fluorophenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)propanamide
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| Structure |
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| Formula |
C16H15ClFN5O2
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| Molecular Weight |
363.78
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| Canonical SMILES |
CC(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)n1nc2ncccn2c1=O
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| InChI |
InChI=1S/C16H15ClFN5O2/c1-9(11-4-5-12(17)13(18)8-11)20-14(24)10(2)23-16(25)22-7-3-6-19-15(22)21-23/h3-10H,1-2H3,(H,20,24)/t9-,10?/m0/s1
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| InChIKey |
YITOIFIMSCSPAE-RGURZIINSA-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