General Information of the Compound
| Compound ID |
CP0552335
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| Compound Name |
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(2-chloropyridin-3-yl)methanone
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| Structure |
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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)c1cccnc1Cl)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H20Cl3N3O/c24-18-7-3-16(4-8-18)21(17-5-9-19(25)10-6-17)28-12-14-29(15-13-28)23(30)20-2-1-11-27-22(20)26/h1-11,21H,12-15H2
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| InChIKey |
ATCSNPSVGMYLOA-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