General Information of the Compound
| Compound ID |
CP0527312
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| Compound Name |
US9199981, F129
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| Formula |
C22H22N6O4S
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| Molecular Weight |
466.523
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)[C@H]1C[C@@H](C1)NS(C)(=O)=O
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| InChI |
InChI=1S/C22H22N6O4S/c1-13-6-7-14(20-25-22(32-26-20)15-9-16(10-15)27-33(2,30)31)11-17(13)24-21(29)18-12-23-19-5-3-4-8-28(18)19/h3-8,11-12,15-16,27H,9-10H2,1-2H3,(H,24,29)/t15-,16-
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| InChIKey |
ILXSEWXTVYSAIV-WKILWMFISA-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