General Information of the Compound
| Compound ID |
CP0481814
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H36BrN3O3S
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| Molecular Weight |
634.64
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2cc(sc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
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| InChI |
InChI=1S/C33H36BrN3O3S/c1-39-28-4-2-3-23(18-28)24-6-7-25-20-32(41-31(25)19-24)33(38)36-26-11-15-37(16-12-26)21-22-5-8-30(29(34)17-22)40-27-9-13-35-14-10-27/h2-8,17-20,26-27,35H,9-16,21H2,1H3,(H,36,38)
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| InChIKey |
SFZIZZYGBQMHAS-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