General Information of the Compound
| Compound ID |
CP0847636
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| Compound Name |
CHEMBL2040552
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| Formula |
C14H16N2O4
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| Molecular Weight |
276.292
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| Canonical SMILES |
O=C(O)/C(O)=C/C(=O)c1ccc(N2CCNCC2)cc1
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| InChI |
InChI=1S/C14H16N2O4/c17-12(9-13(18)14(19)20)10-1-3-11(4-2-10)16-7-5-15-6-8-16/h1-4,9,15,18H,5-8H2,(H,19,20)/b13-9-
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| InChIKey |
QFHFOGNISISFOV-LCYFTJDESA-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