General Information of the Compound
| Compound ID |
CP0400877
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| Compound Name |
3-[N-[(4-fluorophenyl)methyl]-3-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)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C33H34FN3O3/c1-39-30-16-14-28(15-17-30)35-20-22-36(23-21-35)33(38)18-19-37(25-26-10-12-27(34)13-11-26)29-6-5-9-32(24-29)40-31-7-3-2-4-8-31/h2-17,24H,18-23,25H2,1H3
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| InChIKey |
MBUUSYFSPZTOGX-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