General Information of the Compound
| Compound ID |
CP0269785
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| Compound Name |
US9169260, 20
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| Structure |
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| Formula |
C22H23N7O3S
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| Molecular Weight |
465.539
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C22H23N7O3S/c1-33(31,32)27-12-8-16(9-13-27)19-14-20(29(26-19)17-6-3-2-4-7-17)25-22(30)18-15-24-28-11-5-10-23-21(18)28/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,25,30)
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| InChIKey |
WLXCHJXWFBSEFZ-UHFFFAOYSA-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