General Information of the Compound
| Compound ID |
CP0565136
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| Compound Name |
US9035059, 4-1
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| Structure |
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| Formula |
C35H43FN2O4S
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| Molecular Weight |
606.804
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| Canonical SMILES |
CC(C)(C)c1ccc(CC(=O)N2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCC3CCCCC3)cc2F)cc1
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| InChI |
InChI=1S/C35H43FN2O4S/c1-35(2,3)29-12-9-26(10-13-29)21-34(39)38-19-17-27-22-31(15-11-28(27)24-38)43(40,41)37-33-16-14-30(23-32(33)36)42-20-18-25-7-5-4-6-8-25/h9-16,22-23,25,37H,4-8,17-21,24H2,1-3H3
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| InChIKey |
IGWWDARSZPGOGA-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