General Information of the Compound
| Compound ID |
CP0568403
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| Compound Name |
US9290454, 8.2
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| Structure |
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| Formula |
C32H31F2N3O5S
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| Molecular Weight |
607.679
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc2c(cc(CCCCC(=O)NS(=O)(=O)C3CC3)n(-c3ccc(F)cc3)c2=O)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H31F2N3O5S/c1-20(21-6-9-24(33)10-7-21)35-31(39)22-8-17-29-23(18-22)19-27(37(32(29)40)26-13-11-25(34)12-14-26)4-2-3-5-30(38)36-43(41,42)28-15-16-28/h6-14,17-20,28H,2-5,15-16H2,1H3,(H,35,39)(H,36,38)/t20-/m1/s1
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| InChIKey |
DWNIWJSOUVNQQS-HXUWFJFHSA-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