General Information of the Compound
| Compound ID |
CP0442781
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-phenyl-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C32H34BrN3O2S
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| Molecular Weight |
604.614
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| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2cc3ccc(cc3s2)-c2ccccc2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C32H34BrN3O2S/c33-28-18-22(6-9-29(28)38-27-10-14-34-15-11-27)21-36-16-12-26(13-17-36)35-32(37)31-20-25-8-7-24(19-30(25)39-31)23-4-2-1-3-5-23/h1-9,18-20,26-27,34H,10-17,21H2,(H,35,37)
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| InChIKey |
JAZYHUOHBVXZNS-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