General Information of the Compound
| Compound ID |
CP0465571
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| Compound Name |
4-bromo-5-(2-chlorobenzoylamino)-1-phenyl-1H-pyrazole-3-carboxylic acid [2-(1'-methyl-[1,4']bipiperidinyl-4-yl)ethyl]amide
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| Structure |
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| Formula |
C30H36BrClN6O2
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| Molecular Weight |
628.015
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| Canonical SMILES |
CN1CCC(CC1)N1CCC(CCNC(=O)c2nn(c(NC(=O)c3ccccc3Cl)c2Br)-c2ccccc2)CC1
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| InChI |
InChI=1S/C30H36BrClN6O2/c1-36-17-14-22(15-18-36)37-19-12-21(13-20-37)11-16-33-30(40)27-26(31)28(38(35-27)23-7-3-2-4-8-23)34-29(39)24-9-5-6-10-25(24)32/h2-10,21-22H,11-20H2,1H3,(H,33,40)(H,34,39)
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| InChIKey |
LUSJHGGKKRUSDD-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