General Information of the Compound
| Compound ID |
CP0957074
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-(4-methoxyphenyl)propan-1-one
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| Structure |
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| Formula |
C30H36N2O4
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| Molecular Weight |
488.628
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| Canonical SMILES |
COc1ccc(CCC(=O)c2ccccc2OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1
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| InChI |
InChI=1S/C30H36N2O4/c1-23-7-3-5-9-28(23)32-19-17-31(18-20-32)21-25(33)22-36-30-10-6-4-8-27(30)29(34)16-13-24-11-14-26(35-2)15-12-24/h3-12,14-15,25,33H,13,16-22H2,1-2H3/t25-/m1/s1
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| InChIKey |
VCPQHBLOQNAZDS-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