General Information of the Compound
| Compound ID |
CP0503532
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| Compound Name |
ethyl 5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C27H37FN2O2
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| Molecular Weight |
440.603
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| Canonical SMILES |
CCOC(=O)C(CCCN1CCN(Cc2ccc(F)cc2)CC1)(C(C)C)c1ccccc1
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| InChI |
InChI=1S/C27H37FN2O2/c1-4-32-26(31)27(22(2)3,24-9-6-5-7-10-24)15-8-16-29-17-19-30(20-18-29)21-23-11-13-25(28)14-12-23/h5-7,9-14,22H,4,8,15-21H2,1-3H3
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| InChIKey |
MUDXHQMNYAEHIV-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