General Information of the Compound
| Compound ID |
CP0556882
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| Compound Name |
US9199981, F158
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| Formula |
C22H20FN5O3
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| Molecular Weight |
421.432
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(F)cn12)-c1noc(n1)[C@H]1C[C@@](C)(O)C1
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| InChI |
InChI=1S/C22H20FN5O3/c1-12-3-4-13(19-26-21(31-27-19)14-8-22(2,30)9-14)7-16(12)25-20(29)17-10-24-18-6-5-15(23)11-28(17)18/h3-7,10-11,14,30H,8-9H2,1-2H3,(H,25,29)/t14-,22+
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| InChIKey |
HGFPSCQSKGUSQU-XLOAEROZSA-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