General Information of the Compound
| Compound ID |
CP0424235
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| Compound Name |
US9035059, 6-28
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| Structure |
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| Formula |
C38H45FN2O2S
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| Molecular Weight |
612.855
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| Canonical SMILES |
CC(C)(C)c1ccc(CCN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCCCc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C38H45FN2O2S/c1-38(2,3)34-18-14-30(15-19-34)22-24-41-25-23-32-27-35(20-17-33(32)28-41)44(42,43)40-37-21-16-31(26-36(37)39)13-9-5-8-12-29-10-6-4-7-11-29/h4,6-7,10-11,14-21,26-27,40H,5,8-9,12-13,22-25,28H2,1-3H3
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| InChIKey |
VAAILCXLMTULMP-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