General Information of the Compound
| Compound ID |
CP0576383
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-(4-fluorophenyl)-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C32H33BrFN3O2S
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| Molecular Weight |
622.604
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2cc(sc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
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| InChI |
InChI=1S/C32H33BrFN3O2S/c33-28-17-21(1-8-29(28)39-27-9-13-35-14-10-27)20-37-15-11-26(12-16-37)36-32(38)31-19-24-3-2-23(18-30(24)40-31)22-4-6-25(34)7-5-22/h1-8,17-19,26-27,35H,9-16,20H2,(H,36,38)
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| InChIKey |
VHYPEZOCPFHYFF-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