General Information of the Compound
| Compound ID |
CP0414207
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| Compound Name |
US9340555, 45
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| Structure |
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| Formula |
C25H23F2N5O3S
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| Molecular Weight |
511.554
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN)cc2F)c1
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| InChI |
InChI=1S/C25H23F2N5O3S/c1-14-3-5-16(26)19(11-14)32-25(34)31-18-6-4-15(12-17(18)27)35-21-7-10-29-20-13-22(36-23(20)21)24(33)30-9-2-8-28/h3-7,10-13H,2,8-9,28H2,1H3,(H,30,33)(H2,31,32,34)
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| InChIKey |
JHYGYHSMYDQRSI-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