General Information of the Compound
| Compound ID |
CP0966716
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| Compound Name |
(R)-N-((S)-1-(2-methoxy-4-methylphenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
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| Structure |
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| Formula |
C20H22N4O3
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| Molecular Weight |
366.421
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| Canonical SMILES |
COc1cc(C)ccc1[C@H](C)NC(=O)[C@@H](C)n1nnc2ccccc2c1=O
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| InChI |
InChI=1S/C20H22N4O3/c1-12-9-10-15(18(11-12)27-4)13(2)21-19(25)14(3)24-20(26)16-7-5-6-8-17(16)22-23-24/h5-11,13-14H,1-4H3,(H,21,25)/t13-,14+/m0/s1
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| InChIKey |
AOPMTWFMINSQGV-UONOGXRCSA-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