General Information of the Compound
| Compound ID |
CP0521288
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| Compound Name |
US9062059, 3-11
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| Structure |
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| Formula |
C22H25N5OS
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| Molecular Weight |
407.543
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| Canonical SMILES |
Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(n2)C2CC2)s1
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| InChI |
InChI=1S/C22H25N5OS/c1-13-19(29-14(2)25-13)11-24-20-10-21(27-22(26-20)15-6-7-15)28-12-16-9-17(16)18-5-3-4-8-23-18/h3-5,8,10,15-17H,6-7,9,11-12H2,1-2H3,(H,24,26,27)/t16-,17+/m1/s1
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| InChIKey |
GBWLFYCXOFCJMJ-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