General Information of the Compound
| Compound ID |
CP0474588
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| Compound Name |
(2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-1,3-benzoxazole-2-carboximidoyl chloride
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| Structure |
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| Formula |
C18H24ClN3O3
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| Molecular Weight |
365.861
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| Canonical SMILES |
CC1CC(C)CN(CC(O)CO\N=C(/Cl)c2nc3ccccc3o2)C1
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| InChI |
InChI=1S/C18H24ClN3O3/c1-12-7-13(2)9-22(8-12)10-14(23)11-24-21-17(19)18-20-15-5-3-4-6-16(15)25-18/h3-6,12-14,23H,7-11H2,1-2H3/b21-17-
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| InChIKey |
RAYBYLNFQKRJTQ-FXBPSFAMSA-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