General Information of the Compound
| Compound ID |
CP0518629
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| Compound Name |
US9169240, 82
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| Structure |
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| Formula |
C21H15F2N5O4S
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| Molecular Weight |
471.445
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(N[C@H]2CCNC2=O)o1
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| InChI |
InChI=1S/C21H15F2N5O4S/c22-20(23)31-12-4-1-10(2-5-12)11-3-6-13-15(9-11)33-19(25-13)16(29)18-27-28-21(32-18)26-14-7-8-24-17(14)30/h1-6,9,14,20H,7-8H2,(H,24,30)(H,26,28)/t14-/m0/s1
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| InChIKey |
YMWFAFLUDPVCKX-AWEZNQCLSA-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