General Information of the Compound
| Compound ID |
CP0573019
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| Compound Name |
4-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propylamino]-4-oxobutanoic acid
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| Formula |
C16H16FN5O4S
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| Molecular Weight |
393.4
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| Canonical SMILES |
OC(=O)CCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C16H16FN5O4S/c17-9-2-3-11-10(8-9)14(26)21(15-19-20-16(27)22(11)15)7-1-6-18-12(23)4-5-13(24)25/h2-3,8H,1,4-7H2,(H,18,23)(H,20,27)(H,24,25)
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| InChIKey |
BLXWQQCERCCKQU-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