General Information of the Compound
| Compound ID |
CP0505364
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| Compound Name |
N-[3-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H27ClFN3O
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| Molecular Weight |
403.929
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C22H27ClFN3O/c1-22(2,3)21(28)25-18-7-8-20(19(23)14-18)27-11-9-26(10-12-27)15-16-5-4-6-17(24)13-16/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)
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| InChIKey |
RIPVKVKXBRSNKK-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