General Information of the Compound
| Compound ID |
CP0484906
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| Compound Name |
US8618114, 1.2.9(2)
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| Structure |
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| Formula |
C18H15N5O2S
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| Molecular Weight |
365.418
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| Canonical SMILES |
CNc1nn2c(ccnc2c1S(=O)(=O)c1ccccc1)-c1cccnc1
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| InChI |
InChI=1S/C18H15N5O2S/c1-19-17-16(26(24,25)14-7-3-2-4-8-14)18-21-11-9-15(23(18)22-17)13-6-5-10-20-12-13/h2-12H,1H3,(H,19,22)
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| InChIKey |
KHNJXKQEHWUVIF-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