General Information of the Compound
| Compound ID |
CP0533173
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| Compound Name |
tert-butyl N-[6-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propylamino]-6-oxohexyl]carbamate
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| Formula |
C23H31FN6O4S
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| Molecular Weight |
506.604
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C23H31FN6O4S/c1-23(2,3)34-22(33)26-11-6-4-5-8-18(31)25-12-7-13-29-19(32)16-14-15(24)9-10-17(16)30-20(29)27-28-21(30)35/h9-10,14H,4-8,11-13H2,1-3H3,(H,25,31)(H,26,33)(H,28,35)
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| InChIKey |
UXODQXNDFBWBFG-UHFFFAOYSA-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