General Information of the Compound
| Compound ID |
CP0516165
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| Compound Name |
US9108947, 19
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| Structure |
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| Formula |
C23H26N6O5S
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| Molecular Weight |
498.565
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNS(=O)(=O)c1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C23H26N6O5S/c1-15-19(8-9-20-21(15)13-34-23(20)31)22(30)12-28-10-2-3-17(28)11-25-35(32,33)18-6-4-16(5-7-18)29-14-24-26-27-29/h4-9,14,17,22,25,30H,2-3,10-13H2,1H3/t17?,22-/m0/s1
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| InChIKey |
AGGHDLNKTBENDX-UGNFMNBCSA-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