General Information of the Compound
| Compound ID |
CP0501519
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| Compound Name |
US9000044, 53
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| Structure |
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| Formula |
C30H30FNO5S
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| Molecular Weight |
535.637
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| Canonical SMILES |
COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
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| InChI |
InChI=1S/C30H30FNO5S/c1-19(2)32(18-21-5-11-26(37-4)12-6-21)38(35,36)27-13-8-22(9-14-27)30-20(3)24(16-29(33)34)15-23-7-10-25(31)17-28(23)30/h5-15,17,19H,16,18H2,1-4H3,(H,33,34)
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| InChIKey |
WNNVMAKRKNCZIZ-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