General Information of the Compound
| Compound ID |
CP0572972
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| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
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| Formula |
C23H20FN7O2S
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| Molecular Weight |
477.525
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)c1ccc(Cn3ccnc3)cc1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C23H20FN7O2S/c24-17-6-7-19-18(12-17)21(33)30(22-27-28-23(34)31(19)22)10-1-8-26-20(32)16-4-2-15(3-5-16)13-29-11-9-25-14-29/h2-7,9,11-12,14H,1,8,10,13H2,(H,26,32)(H,28,34)
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| InChIKey |
DIJLNXGHNDEKNB-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