General Information of the Compound
| Compound ID |
CP0948382
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[[(1S)-2-methyl-1-phenylpropyl]amino]propoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C28H33NO3
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| Molecular Weight |
431.576
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| Canonical SMILES |
CC(C)[C@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H33NO3/c1-21(2)28(23-13-7-4-8-14-23)29-19-24(30)20-32-27-16-10-9-15-25(27)26(31)18-17-22-11-5-3-6-12-22/h3-16,21,24,28-30H,17-20H2,1-2H3/t24-,28+/m1/s1
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| InChIKey |
IMSAUJVBNBXQTC-YWEHKCAJSA-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