General Information of the Compound
| Compound ID |
CP0552949
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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]-2-[3-(trifluoromethyl)phenyl]acetamide
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| Formula |
C21H17F4N5O2S
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| Molecular Weight |
479.459
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccc(c1)C(F)(F)F)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C21H17F4N5O2S/c22-14-5-6-16-15(11-14)18(32)29(19-27-28-20(33)30(16)19)8-2-7-26-17(31)10-12-3-1-4-13(9-12)21(23,24)25/h1,3-6,9,11H,2,7-8,10H2,(H,26,31)(H,28,33)
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| InChIKey |
JTGQNDUYFYKNEC-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