General Information of the Compound
| Compound ID |
CP0550480
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| Compound Name |
US9035059, 18-11
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| Structure |
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| Formula |
C33H40FN3O4S
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| Molecular Weight |
593.765
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCC3CCCCC3)cc2F)cc1
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| InChI |
InChI=1S/C33H40FN3O4S/c1-33(2,3)26-10-12-27(13-11-26)35-32(38)37-21-24-9-15-29(19-25(24)22-37)42(39,40)36-31-16-14-28(20-30(31)34)41-18-17-23-7-5-4-6-8-23/h9-16,19-20,23,36H,4-8,17-18,21-22H2,1-3H3,(H,35,38)
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| InChIKey |
CTBVRCPNTKOWLG-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