General Information of the Compound
| Compound ID |
CP0914440
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| Compound Name |
tert-Butyl (S)-4-Amino-5-((3-(7-fluoro-5-oxo-1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propyl)amino)-5-oxopentanoate
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| Formula |
C21H27FN6O4S
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| Molecular Weight |
478.55
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| Canonical SMILES |
CC(C)(C)OC(=O)CC[C@H](N)C(=O)NCCCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C21H27FN6O4S/c1-21(2,3)32-16(29)8-6-14(23)17(30)24-9-4-10-27-18(31)13-11-12(22)5-7-15(13)28-19(27)25-26-20(28)33/h5,7,11,14H,4,6,8-10,23H2,1-3H3,(H,24,30)(H,26,33)/t14-/m0/s1
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| InChIKey |
UCMXMUCLNKTVJQ-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