General Information of the Compound
| Compound ID |
CP0450339
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C26H29BrFN3O2S
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| Molecular Weight |
546.506
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| Canonical SMILES |
Fc1ccc2sc(cc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
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| InChI |
InChI=1S/C26H29BrFN3O2S/c27-22-13-17(1-3-23(22)33-21-5-9-29-10-6-21)16-31-11-7-20(8-12-31)30-26(32)25-15-18-14-19(28)2-4-24(18)34-25/h1-4,13-15,20-21,29H,5-12,16H2,(H,30,32)
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| InChIKey |
PEJCIWWIENLPBY-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