General Information of the Compound
| Compound ID |
CP0529865
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| Compound Name |
5-chloro-6-((2-((1-(4-chlorobenzyl)piperidin-4-yl)(methyl)amino)ethyl)(methyl)amino)-N-(3,4-dichlorobenzyl)nicotinamide
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| Structure |
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| Formula |
C29H33Cl4N5O
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| Molecular Weight |
609.429
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| Canonical SMILES |
CN(CCN(C)c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H33Cl4N5O/c1-36(24-9-11-38(12-10-24)19-20-3-6-23(30)7-4-20)13-14-37(2)28-27(33)16-22(18-34-28)29(39)35-17-21-5-8-25(31)26(32)15-21/h3-8,15-16,18,24H,9-14,17,19H2,1-2H3,(H,35,39)
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| InChIKey |
NEKOXQMHQMJFTR-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