General Information of the Compound
| Compound ID |
CP0956629
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid(4-morpholin-4-ylphenyl)amide HCl
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| Structure |
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| Formula |
C24H27ClF3N5O3
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| Molecular Weight |
525.959
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C24H26F3N5O3.ClH/c25-19-14-21(27)20(26)12-15(19)11-16(28)13-23(33)32-22(5-6-29-32)24(34)30-17-1-3-18(4-2-17)31-7-9-35-10-8-31;/h1-4,6,12,14,16,22H,5,7-11,13,28H2,(H,30,34);1H/t16-,22?;/m1./s1
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| InChIKey |
YLBOVAZFPDRZBM-NWXNRHFJSA-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