General Information of the Compound
| Compound ID |
CP0959679
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| Compound Name |
SID85805937
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| Structure |
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| Formula |
C26H30N4O6S2
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| Molecular Weight |
558.682
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C26H30N4O6S2/c1-17-14-30(18(2)16-31)26(33)20-6-4-7-21(28-25(32)19-9-11-27-12-10-19)24(20)36-22(17)15-29(3)38(34,35)23-8-5-13-37-23/h4-13,17-18,22,31H,14-16H2,1-3H3,(H,28,32)/t17-,18+,22-/m1/s1
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| InChIKey |
UMUMDIXYWKRRCG-KGVIQGDOSA-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