General Information of the Compound
| Compound ID |
CP0096517
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| Compound Name |
2-amino-2-[2-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
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| Structure |
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| Formula |
C22H27ClN2O3
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| Molecular Weight |
402.922
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| Canonical SMILES |
Cl.CCc1nc(co1)-c1ccc(cc1)-c1ccc(CCC(N)(CO)CO)cc1
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| InChI |
InChI=1S/C22H26N2O3.ClH/c1-2-21-24-20(13-27-21)19-9-7-18(8-10-19)17-5-3-16(4-6-17)11-12-22(23,14-25)15-26;/h3-10,13,25-26H,2,11-12,14-15,23H2,1H3;1H
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| InChIKey |
MTMMJPYZUSQJHW-UHFFFAOYSA-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