General Information of the Compound
| Compound ID |
CP0555802
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| Compound Name |
(3S)-3-(4-methylphenyl)-3-(4-quinolin-4-yltriazol-1-yl)propan-1-ol
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
Cc1ccc(cc1)[C@H](CCO)n1cc(nn1)-c1ccnc2ccccc12
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| InChI |
InChI=1S/C21H20N4O/c1-15-6-8-16(9-7-15)21(11-13-26)25-14-20(23-24-25)18-10-12-22-19-5-3-2-4-17(18)19/h2-10,12,14,21,26H,11,13H2,1H3/t21-/m0/s1
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| InChIKey |
XJYWVAXAXKALKJ-NRFANRHFSA-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