General Information of the Compound
| Compound ID |
CP0525249
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| Compound Name |
US9273043, B158(j)
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| Structure |
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| Formula |
C21H22F3N5O3S
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| Molecular Weight |
481.5
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| Canonical SMILES |
C[C@H](O)[C@@H](O)c1cnc(N2CCN(C[C@H]2C)C(=O)Nc2nc3cc(F)c(F)cc3s2)c(F)c1
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| InChI |
InChI=1S/C21H22F3N5O3S/c1-10-9-28(21(32)27-20-26-16-6-13(22)14(23)7-17(16)33-20)3-4-29(10)19-15(24)5-12(8-25-19)18(31)11(2)30/h5-8,10-11,18,30-31H,3-4,9H2,1-2H3,(H,26,27,32)/t10-,11+,18-/m1/s1
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| InChIKey |
YLLIZVMKTVYCFN-LIBAHTEVSA-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