General Information of the Compound
| Compound ID |
CP0407500
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| Compound Name |
US9862730, Example 51
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| Structure |
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| Formula |
C16H16N4O2S
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| Molecular Weight |
328.397
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| Canonical SMILES |
CCCOc1ccc2nc(oc2c1)-c1cn2nc(CC)sc2n1
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| InChI |
InChI=1S/C16H16N4O2S/c1-3-7-21-10-5-6-11-13(8-10)22-15(17-11)12-9-20-16(18-12)23-14(4-2)19-20/h5-6,8-9H,3-4,7H2,1-2H3
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| InChIKey |
ASXTXRFEDVOSJU-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