General Information of the Compound
| Compound ID |
CP0553898
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| Compound Name |
US8772323, 114
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| Structure |
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| Formula |
C19H23N5O4
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| Molecular Weight |
385.424
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)c1nc2ccc(cc2o1)C1=NNC(=O)CC1C
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| InChI |
InChI=1S/C19H23N5O4/c1-3-27-19(26)24-8-6-23(7-9-24)18-20-14-5-4-13(11-15(14)28-18)17-12(2)10-16(25)21-22-17/h4-5,11-12H,3,6-10H2,1-2H3,(H,21,25)
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| InChIKey |
GYNWJIUVGYDGQS-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