General Information of the Compound
| Compound ID |
CP0398606
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| Compound Name |
4-(4-Nitrobenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C28H31ClN4O3
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| Molecular Weight |
507.034
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C28H31ClN4O3/c29-25-12-10-24(11-13-25)28(23-5-2-1-3-6-23)32-19-17-31(18-20-32)27(34)7-4-16-30-21-22-8-14-26(15-9-22)33(35)36/h1-3,5-6,8-15,28,30H,4,7,16-21H2
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| InChIKey |
UTEWLKNOTSCUIW-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