General Information of the Compound
| Compound ID |
CP0522322
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| Compound Name |
1-benzyl-4-bromo-5-(2-chlorobenzoylamino)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)ethyl]amide
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| Structure |
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| Formula |
C30H30BrClN6O2
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| Molecular Weight |
621.967
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1c(Br)c(nn1Cc1ccccc1)C(=O)NCCC1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C30H30BrClN6O2/c31-26-27(30(40)34-17-10-21-13-18-37(19-14-21)23-11-15-33-16-12-23)36-38(20-22-6-2-1-3-7-22)28(26)35-29(39)24-8-4-5-9-25(24)32/h1-9,11-12,15-16,21H,10,13-14,17-20H2,(H,34,40)(H,35,39)
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| InChIKey |
XKMOBUYOBFYMSC-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