General Information of the Compound
| Compound ID |
CP0516904
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| Compound Name |
US9481682, 8
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| Structure |
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| Formula |
C25H25N7O2S
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| Molecular Weight |
487.589
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| Canonical SMILES |
Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)s1
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| InChI |
InChI=1S/C25H25N7O2S/c1-14-12-28-25(35-14)30-24(34)16-4-2-15(3-5-16)20-21-22(26)27-10-11-31(21)23(29-20)17-6-7-18-8-9-19(33)32(18)13-17/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,27)(H,28,30,34)/t17-,18+/m1/s1
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| InChIKey |
HRFZFJLCTDYZAP-MSOLQXFVSA-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