General Information of the Compound
| Compound ID |
CP0907474
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| Compound Name |
SID49645022
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| Structure |
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| Formula |
C19H19NO4
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| Molecular Weight |
325.364
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(C)cc1
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| InChI |
InChI=1S/C19H19NO4/c1-3-23-19(22)17-16(12-6-4-11(2)5-7-12)14-9-8-13(21)10-15(14)24-18(17)20/h4-10,16,21H,3,20H2,1-2H3
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| InChIKey |
IHRKBZGURKBWFR-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase