General Information of the Compound
| Compound ID |
CP0425182
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| Compound Name |
US9862730, Example 56
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
CCCOc1cccc2cc(oc12)-c1cn2nc(CC)sc2n1
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| InChI |
InChI=1S/C17H17N3O2S/c1-3-8-21-13-7-5-6-11-9-14(22-16(11)13)12-10-20-17(18-12)23-15(4-2)19-20/h5-7,9-10H,3-4,8H2,1-2H3
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| InChIKey |
OIKBSWIUEKWSHG-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