General Information of the Compound
| Compound ID |
CP0470807
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| Compound Name |
US9035059, 6-31
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| Structure |
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| Formula |
C33H42FN3O2S
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| Molecular Weight |
563.783
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCC3)cc2F)cn1
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| InChI |
InChI=1S/C33H42FN3O2S/c1-33(2,3)32-16-12-26(21-35-32)22-37-18-17-27-20-29(14-13-28(27)23-37)40(38,39)36-31-15-11-25(19-30(31)34)10-6-9-24-7-4-5-8-24/h11-16,19-21,24,36H,4-10,17-18,22-23H2,1-3H3
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| InChIKey |
FTSXEQUIWCOSHV-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