General Information of the Compound
| Compound ID |
CP0506773
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| Compound Name |
US9062059, 2-47
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| Structure |
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
Cc1nc(C)c(CNc2nc(C)nc(OC[C@H]3C[C@@H]3c3ccccn3)c2C)s1
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| InChI |
InChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
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| InChIKey |
SJCKAGOBSNUNNF-SJORKVTESA-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