General Information of the Compound
| Compound ID |
CP0570696
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| Compound Name |
[(1S)-1-(4-methylphenyl)ethyl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
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| Formula |
C18H17N3O3
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| Molecular Weight |
323.352
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| Canonical SMILES |
C[C@H](OC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C18H17N3O3/c1-12-7-9-14(10-8-12)13(2)24-17(22)11-21-18(23)15-5-3-4-6-16(15)19-20-21/h3-10,13H,11H2,1-2H3/t13-/m0/s1
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| InChIKey |
DXHRMQFOSJBNFN-ZDUSSCGKSA-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