General Information of the Compound
| Compound ID |
CP0464590
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| Compound Name |
4-bromo-5-(2-chlorobenzoylamino)-1-pyridin-2-yl-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 |
C28H27BrClN7O2
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| Molecular Weight |
608.928
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1c(Br)c(nn1-c1ccccn1)C(=O)NCCC1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C28H27BrClN7O2/c29-24-25(28(39)33-16-8-19-11-17-36(18-12-19)20-9-14-31-15-10-20)35-37(23-7-3-4-13-32-23)26(24)34-27(38)21-5-1-2-6-22(21)30/h1-7,9-10,13-15,19H,8,11-12,16-18H2,(H,33,39)(H,34,38)
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| InChIKey |
ORKQIUFOLCPTAN-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