General Information of the Compound
| Compound ID |
CP0511961
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| Compound Name |
US9266880, 7
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| Structure |
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| Formula |
C21H15N5O2S
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| Molecular Weight |
401.451
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| Canonical SMILES |
NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
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| InChI |
InChI=1S/C21H15N5O2S/c22-29(27,28)16-6-3-5-15(10-16)26-21-20(13-25-26)18(8-9-24-21)19-12-23-11-14-4-1-2-7-17(14)19/h1-13H,(H2,22,27,28)
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| InChIKey |
FAGKMIRPRMINEW-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