General Information of the Compound
| Compound ID |
CP0156749
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| Compound Name |
US9169260, 153
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| Structure |
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| Formula |
C22H24N8O3S
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| Molecular Weight |
480.554
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| Canonical SMILES |
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H24N8O3S/c1-15-4-5-19(24-13-15)30-20(26-22(31)17-14-25-29-9-3-8-23-21(17)29)12-18(27-30)16-6-10-28(11-7-16)34(2,32)33/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,26,31)
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| InChIKey |
ZVASOJHKRGCZAF-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