General Information of the Compound
| Compound ID |
CP0852432
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| Compound Name |
(1S)-1-[2-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-ol
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| Structure |
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| Formula |
C30H38N2O3
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| Molecular Weight |
474.645
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@@H](O)COc3ccccc3[C@@H](O)CCc3ccccc3)CC2)c1C
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| InChI |
InChI=1S/C30H38N2O3/c1-23-9-8-13-28(24(23)2)32-19-17-31(18-20-32)21-26(33)22-35-30-14-7-6-12-27(30)29(34)16-15-25-10-4-3-5-11-25/h3-14,26,29,33-34H,15-22H2,1-2H3/t26-,29+/m1/s1
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| InChIKey |
MJNZJLFZJKWBJT-UHSQPCAPSA-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