General Information of the Compound
| Compound ID |
CP0424146
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| Compound Name |
US8987445, 232
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| Structure |
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| Formula |
C30H25F3N2O5S
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| Molecular Weight |
582.6
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)c2ccccc2c1C1CC1
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| InChI |
InChI=1S/C30H25F3N2O5S/c31-30(32,33)40-22-13-5-18(6-14-22)17-35(41(38,39)23-15-11-21(12-16-23)29(36)37)28-26(19-7-8-19)24-3-1-2-4-25(24)27(34-28)20-9-10-20/h1-6,11-16,19-20H,7-10,17H2,(H,36,37)
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| InChIKey |
UNBFHVNJTZDEFP-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