General Information of the Compound
| Compound ID |
CP0425370
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| Compound Name |
4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohexyl]-2-trifluoromethoxy-benzenesulfonamide
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| Structure |
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| Formula |
C22H22BrF3N4O3S
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| Molecular Weight |
559.408
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| Canonical SMILES |
FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CNc2ncc3ccccc3n2)CC1
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| InChI |
InChI=1S/C22H22BrF3N4O3S/c23-16-7-10-20(19(11-16)33-22(24,25)26)34(31,32)30-17-8-5-14(6-9-17)12-27-21-28-13-15-3-1-2-4-18(15)29-21/h1-4,7,10-11,13-14,17,30H,5-6,8-9,12H2,(H,27,28,29)
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| InChIKey |
YOETZAQSYUEALD-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