General Information of the Compound
| Compound ID |
CP0875953
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| Compound Name |
1-[3-[(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)COc1cccc(C(=O)CCc2cccc3ccccc23)c1)C(C)C
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| InChI |
InChI=1S/C28H35NO3/c1-20(2)29(21(3)4)18-25(30)19-32-26-13-8-12-24(17-26)28(31)16-15-23-11-7-10-22-9-5-6-14-27(22)23/h5-14,17,20-21,25,30H,15-16,18-19H2,1-4H3/t25-/m1/s1
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| InChIKey |
GOIGIMYQZMUGKP-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