General Information of the Compound
| Compound ID |
CP0573329
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| Compound Name |
US9012651, 51
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| Structure |
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| Formula |
C21H30FN3O3S
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| Molecular Weight |
423.554
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| Canonical SMILES |
CCN(CC)S(=O)(=O)c1cccc(c1)-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
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| InChI |
InChI=1S/C21H30FN3O3S/c1-5-25(6-2)29(27,28)17-9-7-8-16(12-17)19-11-10-18(22)20(24-19)13-23-21(14-26)15(3)4/h7-12,15,21,23,26H,5-6,13-14H2,1-4H3/t21-/m0/s1
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| InChIKey |
AMLMXUKMRPLWFE-NRFANRHFSA-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