General Information of the Compound
| Compound ID |
CP0518838
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| Compound Name |
US9035059, 7-50
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| Structure |
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| Formula |
C32H35F5N2O3S
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| Molecular Weight |
622.7
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| Canonical SMILES |
FC(F)C(F)(F)Oc1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCC3)cc2F)cc1
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| InChI |
InChI=1S/C32H35F5N2O3S/c33-29-18-23(7-3-6-22-4-1-2-5-22)10-15-30(29)38-43(40,41)28-14-11-26-21-39(17-16-25(26)19-28)20-24-8-12-27(13-9-24)42-32(36,37)31(34)35/h8-15,18-19,22,31,38H,1-7,16-17,20-21H2
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| InChIKey |
GEUWLAHFRBQCLR-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