General Information of the Compound
| Compound ID |
CP0545271
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| Compound Name |
3-[N-[(4-fluorophenyl)methyl]-4-phenoxyanilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C33H34FN3O3
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| Molecular Weight |
539.651
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C33H34FN3O3/c1-39-30-15-11-28(12-16-30)35-21-23-36(24-22-35)33(38)19-20-37(25-26-7-9-27(34)10-8-26)29-13-17-32(18-14-29)40-31-5-3-2-4-6-31/h2-18H,19-25H2,1H3
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| InChIKey |
LAMFREHNMSBHJG-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