General Information of the Compound
| Compound ID |
CP0400878
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| Compound Name |
3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C27H28Cl2FN3O2
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| Molecular Weight |
516.444
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H28Cl2FN3O2/c1-35-24-9-6-22(7-10-24)31-14-16-32(17-15-31)27(34)12-13-33(19-20-2-4-21(30)5-3-20)23-8-11-25(28)26(29)18-23/h2-11,18H,12-17,19H2,1H3
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| InChIKey |
UTYMFOUMACYEBS-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