General Information of the Compound
| Compound ID |
CP0508950
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| Compound Name |
US9199981, F136
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| Structure |
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| Formula |
C26H28N6O4
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| Molecular Weight |
488.548
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1(CCC1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H28N6O4/c1-16-9-10-17(14-18(16)28-22(33)19-15-27-20-8-5-6-13-32(19)20)21-29-23(36-31-21)26(11-7-12-26)30-24(34)35-25(2,3)4/h5-6,8-10,13-15H,7,11-12H2,1-4H3,(H,28,33)(H,30,34)
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| InChIKey |
NJBRFGPVHWQELP-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