General Information of the Compound
| Compound ID |
CP0431127
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| Compound Name |
ethyl 5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C28H40N2O3
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| Molecular Weight |
452.639
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| Canonical SMILES |
CCOC(=O)C(CCCN1CCN(Cc2ccc(OC)cc2)CC1)(C(C)C)c1ccccc1
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| InChI |
InChI=1S/C28H40N2O3/c1-5-33-27(31)28(23(2)3,25-10-7-6-8-11-25)16-9-17-29-18-20-30(21-19-29)22-24-12-14-26(32-4)15-13-24/h6-8,10-15,23H,5,9,16-22H2,1-4H3
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| InChIKey |
CCHUQLRQUPQZBE-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