General Information of the Compound
| Compound ID |
CP0452867
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| Compound Name |
N-[3-chloro-4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C23H25ClF3N3O2
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| Molecular Weight |
467.919
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C23H25ClF3N3O2/c1-22(2,3)21(32)28-17-8-9-19(18(24)14-17)29-10-12-30(13-11-29)20(31)15-4-6-16(7-5-15)23(25,26)27/h4-9,14H,10-13H2,1-3H3,(H,28,32)
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| InChIKey |
ZGZGTWWTHJULGI-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