General Information of the Compound
| Compound ID |
CP0513675
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| Compound Name |
N-[3-[4-[(4-bromophenyl)-(6-methylpyridin-2-yl)oxymethyl]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C28H31BrCl2N4O2
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| Molecular Weight |
606.392
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(C)n1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-5-25(34-18)37-27(20-6-8-22(29)9-7-20)21-11-14-35(15-12-21)19(2)10-13-33-28(36)26-23(30)16-32-17-24(26)31/h3-9,16-17,19,21,27H,10-15H2,1-2H3,(H,33,36)
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| InChIKey |
YJMPQXVFNAVTQP-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