General Information of the Compound
| Compound ID |
CP0565015
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| Compound Name |
US9035059, 18-19
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| Structure |
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| Formula |
C33H33F2N3O5S
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| Molecular Weight |
621.706
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCOc3ccc(F)cc3)cc2F)cc1
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| InChI |
InChI=1S/C33H33F2N3O5S/c1-33(2,3)24-5-9-26(10-6-24)36-32(39)38-20-22-4-14-29(18-23(22)21-38)44(40,41)37-31-15-13-28(19-30(31)35)43-17-16-42-27-11-7-25(34)8-12-27/h4-15,18-19,37H,16-17,20-21H2,1-3H3,(H,36,39)
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| InChIKey |
VCILLGQPAGSPPF-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