General Information of the Compound
| Compound ID |
CP0380667
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C26H30BrN3O2S
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| Molecular Weight |
528.516
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| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2cc3ccccc3s2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C26H30BrN3O2S/c27-22-15-18(5-6-23(22)32-21-7-11-28-12-8-21)17-30-13-9-20(10-14-30)29-26(31)25-16-19-3-1-2-4-24(19)33-25/h1-6,15-16,20-21,28H,7-14,17H2,(H,29,31)
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| InChIKey |
QPGAWUVPYKAJBR-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