General Information of the Compound
| Compound ID |
CP0563610
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H29BrN4O2
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| Molecular Weight |
473.415
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| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2ccccn2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C23H29BrN4O2/c24-20-15-17(4-5-22(20)30-19-6-11-25-12-7-19)16-28-13-8-18(9-14-28)27-23(29)21-3-1-2-10-26-21/h1-5,10,15,18-19,25H,6-9,11-14,16H2,(H,27,29)
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| InChIKey |
XWJKGLRLRPUWLD-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