General Information of the Compound
| Compound ID |
CP0373598
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| Compound Name |
4-(2,6-Dichlorobenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C28H30Cl3N3O
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| Molecular Weight |
530.927
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CCCNCc1c(Cl)cccc1Cl)c1ccccc1
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| InChI |
InChI=1S/C28H30Cl3N3O/c29-23-13-11-22(12-14-23)28(21-6-2-1-3-7-21)34-18-16-33(17-19-34)27(35)10-5-15-32-20-24-25(30)8-4-9-26(24)31/h1-4,6-9,11-14,28,32H,5,10,15-20H2
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| InChIKey |
SXZPHXWUKCRLIY-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