General Information of the Compound
| Compound ID |
CP0471558
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| Compound Name |
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]propanamide
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| Formula |
C20H21FN6O3S
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| Molecular Weight |
444.492
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| Canonical SMILES |
Cc1noc(C)c1CCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C20H21FN6O3S/c1-11-14(12(2)30-25-11)5-7-17(28)22-8-3-9-26-18(29)15-10-13(21)4-6-16(15)27-19(26)23-24-20(27)31/h4,6,10H,3,5,7-9H2,1-2H3,(H,22,28)(H,24,31)
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| InChIKey |
KSKPPJNANLJXSI-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