General Information of the Compound
| Compound ID |
CP0450004
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| Compound Name |
US9273043, B155(o)
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| Structure |
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| Formula |
C21H23F2N5O3S
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| Molecular Weight |
463.51
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| Canonical SMILES |
C[C@@H](O)[C@H](O)c1cnc(N2CCN(C[C@H]2C)C(=O)Nc2nc3cc(F)ccc3s2)c(F)c1
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| InChI |
InChI=1S/C21H23F2N5O3S/c1-11-10-27(21(31)26-20-25-16-8-14(22)3-4-17(16)32-20)5-6-28(11)19-15(23)7-13(9-24-19)18(30)12(2)29/h3-4,7-9,11-12,18,29-30H,5-6,10H2,1-2H3,(H,25,26,31)/t11-,12-,18+/m1/s1
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| InChIKey |
ZATUJVIEPXVGPT-FMTVUPSXSA-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