General Information of the Compound
| Compound ID |
CP0442779
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-methoxy-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C27H32BrN3O3S
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| Molecular Weight |
558.542
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| Canonical SMILES |
COc1ccc2sc(cc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
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| InChI |
InChI=1S/C27H32BrN3O3S/c1-33-22-3-5-25-19(15-22)16-26(35-25)27(32)30-20-8-12-31(13-9-20)17-18-2-4-24(23(28)14-18)34-21-6-10-29-11-7-21/h2-5,14-16,20-21,29H,6-13,17H2,1H3,(H,30,32)
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| InChIKey |
HABJGLNQRWNJLH-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