General Information of the Compound
| Compound ID |
CP0512776
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| Compound Name |
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(2-chloropyridin-4-yl)methanone
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| Formula |
C23H20Cl3N3O
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| Molecular Weight |
460.792
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H20Cl3N3O/c24-19-5-1-16(2-6-19)22(17-3-7-20(25)8-4-17)28-11-13-29(14-12-28)23(30)18-9-10-27-21(26)15-18/h1-10,15,22H,11-14H2
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| InChIKey |
RECLWZNGZSLNEU-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