General Information of the Compound
| Compound ID |
CP0418787
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| Compound Name |
N-[3-[4-[4-bromo-N-[(3-methoxyphenyl)methyl]anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C29H33BrCl2N4O2
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| Molecular Weight |
620.419
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| Canonical SMILES |
COc1cccc(CN(C2CCN(CC2)C(C)CCNC(=O)c2c(Cl)cncc2Cl)c2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C29H33BrCl2N4O2/c1-20(10-13-34-29(37)28-26(31)17-33-18-27(28)32)35-14-11-24(12-15-35)36(23-8-6-22(30)7-9-23)19-21-4-3-5-25(16-21)38-2/h3-9,16-18,20,24H,10-15,19H2,1-2H3,(H,34,37)
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| InChIKey |
WKCUCNKLVWTUOU-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