General Information of the Compound
| Compound ID |
CP0006524
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| Compound Name |
4-[1-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]triazol-4-yl]butan-1-ol
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| Structure |
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| Formula |
C15H21N5O2
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| Molecular Weight |
303.366
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| Canonical SMILES |
OCCCCc1cn(nn1)-c1cncc(OC[C@@H]2CCN2)c1
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| InChI |
InChI=1S/C15H21N5O2/c21-6-2-1-3-12-10-20(19-18-12)14-7-15(9-16-8-14)22-11-13-4-5-17-13/h7-10,13,17,21H,1-6,11H2/t13-/m0/s1
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| InChIKey |
BYJQXYIPKVANMQ-ZDUSSCGKSA-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