General Information of the Compound
| Compound ID |
CP0524172
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| Compound Name |
5-{(2R,3S)-3-Phenyl-2-[(R)-1-(3-trifluoromethyl-phenyl)-ethoxy]-morpholin-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C22H23F3N4O3
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| Molecular Weight |
448.445
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| Canonical SMILES |
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O3/c1-14(16-8-5-9-17(12-16)22(23,24)25)32-20-19(15-6-3-2-4-7-15)29(10-11-31-20)13-18-26-21(30)28-27-18/h2-9,12,14,19-20H,10-11,13H2,1H3,(H2,26,27,28,30)/t14-,19+,20-/m1/s1
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| InChIKey |
BEQWHMKGQHGLOD-VOBQZIQPSA-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