General Information of the Compound
| Compound ID |
CP0520651
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| Compound Name |
(2R)-1-(1-(3-chlorophenyl)ethoxy)-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propan-2-ol
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| Structure |
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| Formula |
C25H30ClNO2
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| Molecular Weight |
411.973
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| Canonical SMILES |
CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H30ClNO2/c1-18(21-9-6-10-23(26)14-21)29-17-24(28)16-27-25(2,3)15-19-11-12-20-7-4-5-8-22(20)13-19/h4-14,18,24,27-28H,15-17H2,1-3H3/t18?,24-/m1/s1
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| InChIKey |
DBRAEKJTQXKQQT-VCUSLETLSA-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