General Information of the Compound
| Compound ID |
CP0939952
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| Compound Name |
[3-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
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| Structure |
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| Formula |
C28H32N2O3
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| Molecular Weight |
444.575
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@@H](O)COc3cccc(C(=O)c4ccccc4)c3)CC2)c1C
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| InChI |
InChI=1S/C28H32N2O3/c1-21-8-6-13-27(22(21)2)30-16-14-29(15-17-30)19-25(31)20-33-26-12-7-11-24(18-26)28(32)23-9-4-3-5-10-23/h3-13,18,25,31H,14-17,19-20H2,1-2H3/t25-/m1/s1
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| InChIKey |
WMDTXGCYUPWHGZ-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