General Information of the Compound
| Compound ID |
CP0524165
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| Compound Name |
5-({[(S)-2-(3-tert-Butyl-5-methyl-benzyloxy)-1-phenyl-ethyl]-methyl-amino}-methyl)-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C24H32N4O2
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| Molecular Weight |
408.546
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| Canonical SMILES |
CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C)cc(c1)C(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C24H32N4O2/c1-17-11-18(13-20(12-17)24(2,3)4)15-30-16-21(19-9-7-6-8-10-19)28(5)14-22-25-23(29)27-26-22/h6-13,21H,14-16H2,1-5H3,(H2,25,26,27,29)/t21-/m1/s1
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| InChIKey |
VCYXADWZHUWUAD-OAQYLSRUSA-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