General Information of the Compound
| Compound ID |
CP0536939
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| Compound Name |
US9481682, 176
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| Structure |
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| Formula |
C24H24N8O2S
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| Molecular Weight |
488.577
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| Canonical SMILES |
Cc1nsc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1
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| InChI |
InChI=1S/C24H24N8O2S/c1-13-27-24(35-30-13)29-23(34)15-4-2-14(3-5-15)19-20-21(25)26-10-11-31(20)22(28-19)16-6-7-17-8-9-18(33)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,25,26)(H,27,29,30,34)/t16-,17+/m1/s1
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| InChIKey |
RBGSEXZXEIUEEB-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