General Information of the Compound
| Compound ID |
CP0479877
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| Compound Name |
US9035059, 6-48
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| Structure |
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| Formula |
C31H40FN3O2S2
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| Molecular Weight |
569.812
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| Canonical SMILES |
CC(C)(C)c1ncc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCC3)cc2F)s1
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| InChI |
InChI=1S/C31H40FN3O2S2/c1-31(2,3)30-33-19-26(38-30)21-35-16-15-24-18-27(13-12-25(24)20-35)39(36,37)34-29-14-11-23(17-28(29)32)10-6-9-22-7-4-5-8-22/h11-14,17-19,22,34H,4-10,15-16,20-21H2,1-3H3
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| InChIKey |
RBIIRDZYGLPGBR-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