General Information of the Compound
| Compound ID |
CP0442558
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| Compound Name |
US9199981, F100
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| Structure |
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| Formula |
C24H23N5O3
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| Molecular Weight |
429.48
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC2(CC(O)C2)C1
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| InChI |
InChI=1S/C24H23N5O3/c1-14-5-6-15(21-27-23(32-28-21)16-9-24(10-16)11-17(30)12-24)8-18(14)26-22(31)19-13-25-20-4-2-3-7-29(19)20/h2-8,13,16-17,30H,9-12H2,1H3,(H,26,31)
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| InChIKey |
CXAIUYZBLYTVTR-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