General Information of the Compound
| Compound ID |
CP0239209
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| Compound Name |
US9169260, 17
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| Structure |
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| Formula |
C23H25N7O3S
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| Molecular Weight |
479.566
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| Canonical SMILES |
Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H25N7O3S/c1-16-5-3-6-18(13-16)30-21(26-23(31)19-15-25-29-10-4-9-24-22(19)29)14-20(27-30)17-7-11-28(12-8-17)34(2,32)33/h3-6,9-10,13-15,17H,7-8,11-12H2,1-2H3,(H,26,31)
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| InChIKey |
PNTRWESJCGOMAE-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