General Information of the Compound
| Compound ID |
CP0475207
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| Compound Name |
1-(3-(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(CC(O)COc3cccc(c3)C(=O)CCc3ccccc3)CC2)c1C
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| InChI |
InChI=1S/C30H36N2O3/c1-23-8-6-13-29(24(23)2)32-18-16-31(17-19-32)21-27(33)22-35-28-12-7-11-26(20-28)30(34)15-14-25-9-4-3-5-10-25/h3-13,20,27,33H,14-19,21-22H2,1-2H3
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| InChIKey |
ASNAPVUCVQMNNL-UHFFFAOYSA-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