General Information of the Compound
| Compound ID |
CP0888659
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-(4-methylphenyl)propan-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 |
Cc1ccc(CCC(=O)c2ccccc2OC[C@H](O)CN2CCN(c3ccccc3C)CC2)cc1
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| InChI |
InChI=1S/C30H36N2O3/c1-23-11-13-25(14-12-23)15-16-29(34)27-8-4-6-10-30(27)35-22-26(33)21-31-17-19-32(20-18-31)28-9-5-3-7-24(28)2/h3-14,26,33H,15-22H2,1-2H3/t26-/m1/s1
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| InChIKey |
XZQUTKGLNDRNRU-AREMUKBSSA-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