General Information of the Compound
| Compound ID |
CP0903987
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| Compound Name |
1-[2-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]ethanone
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| Structure |
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| Formula |
C17H27NO3
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| Molecular Weight |
293.407
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| Canonical SMILES |
CC(=O)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C17H27NO3/c1-12(2)18(13(3)4)10-15(20)11-21-17-9-7-6-8-16(17)14(5)19/h6-9,12-13,15,20H,10-11H2,1-5H3/t15-/m1/s1
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| InChIKey |
KEPGBFRUNYWLPT-OAHLLOKOSA-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