General Information of the Compound
| Compound ID |
CP0409416
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| Compound Name |
US9242977, 85-226
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| Structure |
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| Formula |
C25H23F3N6O4S2
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| Molecular Weight |
592.625
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3S(C)(=O)=O)C(F)(F)F)cn2)cc1
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| InChI |
InChI=1S/C25H23F3N6O4S2/c1-3-10-29-24-32-14-20(39-24)15-4-7-18(8-5-15)38-23-30-12-17(13-31-23)33-22(35)34-19-11-16(25(26,27)28)6-9-21(19)40(2,36)37/h4-9,11-14H,3,10H2,1-2H3,(H,29,32)(H2,33,34,35)
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| InChIKey |
UKKDPXNMPMCVTP-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