General Information of the Compound
| Compound ID |
CP0560908
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| Compound Name |
US9598415, 21
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| Structure |
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| Formula |
C26H30N8O3S
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| Molecular Weight |
534.646
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| Canonical SMILES |
CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(=O)(=O)CC)c(=O)n(C(C)C)c2n1
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| InChI |
InChI=1S/C26H30N8O3S/c1-5-19-21(22(16-7-8-16)31-14-30-19)23-29-13-20-25(33-23)34(15(3)4)26(35)24(32-20)28-11-17-9-10-18(12-27-17)38(36,37)6-2/h9-10,12-16H,5-8,11H2,1-4H3,(H,28,32)
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| InChIKey |
JMGXNHQIHCENOA-UHFFFAOYSA-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