General Information of the Compound
| Compound ID |
CP0426293
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| Compound Name |
US9199981, F8
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| Structure |
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| Formula |
C23H21N5O4
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| Molecular Weight |
431.452
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC2(C1)OCCO2
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| InChI |
InChI=1S/C23H21N5O4/c1-14-5-6-15(20-26-22(32-27-20)16-11-23(12-16)30-8-9-31-23)10-17(14)25-21(29)18-13-24-19-4-2-3-7-28(18)19/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,25,29)
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| InChIKey |
JUFRLPQXDIXLQH-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