General Information of the Compound
| Compound ID |
CP0946058
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| Compound Name |
Methyl (4S,5S)-5-(2-(azidomethyl)phenyl)-4-benzyl-2-phenyl-4,5-dihydrooxazole-4-carboxylate
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| Structure |
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| Formula |
C25H22N4O3
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| Molecular Weight |
426.476
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| Canonical SMILES |
COC(=O)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1ccccc1CN=[N+]=[N-]
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| InChI |
InChI=1S/C25H22N4O3/c1-31-24(30)25(16-18-10-4-2-5-11-18)22(21-15-9-8-14-20(21)17-27-29-26)32-23(28-25)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3/t22-,25-/m0/s1
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| InChIKey |
VWYOKTCHVFTYLK-DHLKQENFSA-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