General Information of the Compound
| Compound ID |
CP0470655
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| Compound Name |
US9035059, 17-7
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| Structure |
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| Formula |
C34H43FN2O4S
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| Molecular Weight |
594.793
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCC3CCOCC3)cc2F)cc1
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| InChI |
InChI=1S/C34H43FN2O4S/c1-34(2,3)29-7-4-25(5-8-29)12-17-37-18-13-27-22-31(10-6-28(27)24-37)42(38,39)36-33-11-9-30(23-32(33)35)41-21-16-26-14-19-40-20-15-26/h4-11,22-23,26,36H,12-21,24H2,1-3H3
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| InChIKey |
LMSOHUKPDHXORM-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