General Information of the Compound
| Compound ID |
CP0217103
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| Compound Name |
US9296741, 141
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| Structure |
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| Formula |
C20H19N5O4S
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| Molecular Weight |
425.47
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc(Oc2cncnc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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| InChI |
InChI=1S/C20H19N5O4S/c1-3-30(27,28)24-13-4-5-18(29-14-9-21-12-22-10-14)16(8-13)17-11-25(2)20(26)19-15(17)6-7-23-19/h4-12,23-24H,3H2,1-2H3
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| InChIKey |
XAARGHYZIMMIKR-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