General Information of the Compound
| Compound ID |
CP0454398
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| Compound Name |
N-[3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C26H34ClN3O
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| Molecular Weight |
440.031
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C26H34ClN3O/c1-26(2,20-9-5-3-6-10-20)25(31)28-21-11-12-24(23(27)19-21)30-17-13-22(14-18-30)29-15-7-4-8-16-29/h3,5-6,9-12,19,22H,4,7-8,13-18H2,1-2H3,(H,28,31)
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| InChIKey |
WJCNUUYTAXRACE-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