General Information of the Compound
| Compound ID |
CP0558633
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| Compound Name |
US11304929, Example 09-011
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| Structure |
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| Formula |
C29H26ClF3N2O5S
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| Molecular Weight |
607.05
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(=O)OCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H26ClF3N2O5S/c1-17-11-24(30)23-14-26(35(3)25(23)12-17)28(37)34-18(2)20-7-9-22(10-8-20)41(38,39)16-27(36)40-15-19-5-4-6-21(13-19)29(31,32)33/h4-14,18H,15-16H2,1-3H3,(H,34,37)/t18-/m1/s1
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| InChIKey |
PUJFLLGQDWNYMC-GOSISDBHSA-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