General Information of the Compound
| Compound ID |
CP0505365
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| Compound Name |
N-[3-[4-[(4-bromophenyl)-pyridin-2-yloxymethyl]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C27H29BrCl2N4O2
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| Molecular Weight |
592.365
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H29BrCl2N4O2/c1-18(9-13-33-27(35)25-22(29)16-31-17-23(25)30)34-14-10-20(11-15-34)26(19-5-7-21(28)8-6-19)36-24-4-2-3-12-32-24/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,33,35)
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| InChIKey |
YEPHDGFKVQDXBN-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