General Information of the Compound
| Compound ID |
CP0903985
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| Compound Name |
1-[4-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C30H36N2O3
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| Molecular Weight |
472.629
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)CCc4ccccc4)cc3)CC2)c1C
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| InChI |
InChI=1S/C30H36N2O3/c1-23-7-6-10-29(24(23)2)32-19-17-31(18-20-32)21-27(33)22-35-28-14-12-26(13-15-28)30(34)16-11-25-8-4-3-5-9-25/h3-10,12-15,27,33H,11,16-22H2,1-2H3/t27-/m1/s1
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| InChIKey |
YMQPVKKJRCHZBY-HHHXNRCGSA-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