General Information of the Compound
| Compound ID |
CP0569905
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| Compound Name |
US9169260, 199
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| Structure |
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| Formula |
C21H23N9O3S
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| Molecular Weight |
481.542
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| Canonical SMILES |
Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H23N9O3S/c1-15-4-5-17(23-13-15)30-18(25-21(31)16-14-24-29-7-3-6-22-20(16)29)12-19(26-30)27-8-10-28(11-9-27)34(2,32)33/h3-7,12-14H,8-11H2,1-2H3,(H,25,31)
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| InChIKey |
CYICNUYTXLRQAF-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