General Information of the Compound
| Compound ID |
CP0525549
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H27BrN4O2S
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| Molecular Weight |
479.444
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| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2cscn2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C21H27BrN4O2S/c22-18-11-15(1-2-20(18)28-17-3-7-23-8-4-17)12-26-9-5-16(6-10-26)25-21(27)19-13-29-14-24-19/h1-2,11,13-14,16-17,23H,3-10,12H2,(H,25,27)
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| InChIKey |
VJUMVIFPKDOQKF-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