General Information of the Compound
| Compound ID |
CP0478307
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| Compound Name |
US9169240, 22
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| Structure |
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| Formula |
C23H22N4O4S
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| Molecular Weight |
450.52
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| Canonical SMILES |
C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O4S/c1-13(24-22(29)31-23(2,3)4)19-26-27-20(30-19)18(28)21-25-16-11-10-15(12-17(16)32-21)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,24,29)/t13-/m0/s1
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| InChIKey |
PQGSDEGGOMHTPA-ZDUSSCGKSA-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