General Information of the Compound
| Compound ID |
CP0536567
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| Compound Name |
4-bromo-5-(2-chlorobenzoylamino)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid {2-[1-(1-methylpropenyl)piperidin-4-yl]ethyl}amide
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| Structure |
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| Formula |
C30H30BrClN6O3
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| Molecular Weight |
637.966
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(C(=O)NCCC2CCN(CC2)c2ccncc2)c(Br)c1NC(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C30H30BrClN6O3/c1-41-23-8-6-22(7-9-23)38-28(35-29(39)24-4-2-3-5-25(24)32)26(31)27(36-38)30(40)34-17-10-20-13-18-37(19-14-20)21-11-15-33-16-12-21/h2-9,11-12,15-16,20H,10,13-14,17-19H2,1H3,(H,34,40)(H,35,39)
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| InChIKey |
QEIYOSQKAZWSJL-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