General Information of the Compound
| Compound ID |
CP0129156
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| Compound Name |
US9242977, 85-117
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| Structure |
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| Formula |
C24H20ClF3N6O2S
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| Molecular Weight |
548.978
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C24H20ClF3N6O2S/c1-2-9-29-23-32-13-20(37-23)14-3-6-17(7-4-14)36-22-30-11-16(12-31-22)33-21(35)34-19-10-15(24(26,27)28)5-8-18(19)25/h3-8,10-13H,2,9H2,1H3,(H,29,32)(H2,33,34,35)
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| InChIKey |
VMWCQUXKURWYMM-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