General Information of the Compound
| Compound ID |
CP0056606
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| Compound Name |
US8497274, 53
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| Structure |
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| Formula |
C26H17F4N5O3S
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| Molecular Weight |
555.513
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H17F4N5O3S/c27-18-8-7-16(11-20(18)33-24(37)32-15-5-3-14(4-6-15)26(28,29)30)38-21-10-9-19-22(17(21)12-31)39-25(34-19)35-23(36)13-1-2-13/h3-11,13H,1-2H2,(H2,32,33,37)(H,34,35,36)
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| InChIKey |
YMMZSUHTTYMCQY-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