General Information of the Compound
| Compound ID |
CP0553911
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| Compound Name |
US9035059, 6-75
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| Structure |
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| Formula |
C35H45FN2O3S
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| Molecular Weight |
592.821
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCOCC3)cc2F)cc1
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| InChI |
InChI=1S/C35H45FN2O3S/c1-35(2,3)31-11-7-27(8-12-31)15-19-38-20-16-29-24-32(13-10-30(29)25-38)42(39,40)37-34-14-9-28(23-33(34)36)6-4-5-26-17-21-41-22-18-26/h7-14,23-24,26,37H,4-6,15-22,25H2,1-3H3
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| InChIKey |
WIWBNRUKGYVJEE-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