General Information of the Compound
| Compound ID |
CP0388035
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| Compound Name |
N-[3-[4-[N-benzyl-4-(dimethylcarbamoyl)anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C31H37Cl2N5O2
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| Molecular Weight |
582.576
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N(C)C
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| InChI |
InChI=1S/C31H37Cl2N5O2/c1-22(13-16-35-30(39)29-27(32)19-34-20-28(29)33)37-17-14-26(15-18-37)38(21-23-7-5-4-6-8-23)25-11-9-24(10-12-25)31(40)36(2)3/h4-12,19-20,22,26H,13-18,21H2,1-3H3,(H,35,39)
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| InChIKey |
QGSQJIGPZSEBPB-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