General Information of the Compound
| Compound ID |
CP0871169
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| Compound Name |
2-But-3-enyldisulfanyl-N-[4-(3-trifluoromethyl-phenylamino)-quinazolin-6-yl]-acetamide
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| Formula |
C21H19F3N4OS2
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| Molecular Weight |
464.538
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| Canonical SMILES |
C=CCCSSCC(=O)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C21H19F3N4OS2/c1-2-3-9-30-31-12-19(29)27-16-7-8-18-17(11-16)20(26-13-25-18)28-15-6-4-5-14(10-15)21(22,23)24/h2,4-8,10-11,13H,1,3,9,12H2,(H,27,29)(H,25,26,28)
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| InChIKey |
SJGIYEHXLUYUKK-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