General Information of the Compound
| Compound ID |
CP0479520
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| Compound Name |
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(2-chloro-3-nitrophenyl)methanone
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| Formula |
C24H20Cl3N3O3
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| Molecular Weight |
504.801
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| Canonical SMILES |
[O-][N+](=O)c1cccc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1Cl
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| InChI |
InChI=1S/C24H20Cl3N3O3/c25-18-8-4-16(5-9-18)23(17-6-10-19(26)11-7-17)28-12-14-29(15-13-28)24(31)20-2-1-3-21(22(20)27)30(32)33/h1-11,23H,12-15H2
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| InChIKey |
PUJWVMSDMGMHSP-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