General Information of the Compound
| Compound ID |
CP0942727
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| Compound Name |
1-[4-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C28H35NO3
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| Molecular Weight |
433.592
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| Canonical SMILES |
CC(C)N(C[C@@H](O)COc1ccc(C(=O)CCc2cccc3ccccc23)cc1)C(C)C
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| InChI |
InChI=1S/C28H35NO3/c1-20(2)29(21(3)4)18-25(30)19-32-26-15-12-24(13-16-26)28(31)17-14-23-10-7-9-22-8-5-6-11-27(22)23/h5-13,15-16,20-21,25,30H,14,17-19H2,1-4H3/t25-/m1/s1
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| InChIKey |
CJGIZXKNHCHULR-RUZDIDTESA-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