General Information of the Compound
| Compound ID |
CP0509032
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| Compound Name |
US9139578, 21
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| Structure |
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| Formula |
C24H18FN5O4S2
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| Molecular Weight |
523.571
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| Canonical SMILES |
Fc1cc(cc2sc(nc12)C(NC(=O)C1CC1)c1nnc(CC2SC(=O)NC2=O)o1)-c1ccccc1
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| InChI |
InChI=1S/C24H18FN5O4S2/c25-14-8-13(11-4-2-1-3-5-11)9-15-18(14)27-23(35-15)19(26-20(31)12-6-7-12)22-30-29-17(34-22)10-16-21(32)28-24(33)36-16/h1-5,8-9,12,16,19H,6-7,10H2,(H,26,31)(H,28,32,33)
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| InChIKey |
GETGECSTAIGUKE-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