General Information of the Compound
| Compound ID |
CP0076777
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| Compound Name |
US11426393, Compound Table XV.13
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| Structure |
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| Formula |
C17H18N2O4
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| Molecular Weight |
314.341
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
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| InChI |
InChI=1S/C17H18N2O4/c1-10(2)11-3-5-12(6-4-11)13-7-14(20)16(18-8-13)17(23)19-9-15(21)22/h3-8,10,20H,9H2,1-2H3,(H,19,23)(H,21,22)
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| InChIKey |
XZPLTNPEACHLGV-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