General Information of the Compound
| Compound ID |
CP0956630
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid (1H-benzoimidazol-2-ylmethyl)amide HCl
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| Structure |
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| Formula |
C22H22ClF3N6O2
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| Molecular Weight |
494.905
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1nc2ccccc2[nH]1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C22H21F3N6O2.ClH/c23-14-10-16(25)15(24)8-12(14)7-13(26)9-21(32)31-19(5-6-28-31)22(33)27-11-20-29-17-3-1-2-4-18(17)30-20;/h1-4,6,8,10,13,19H,5,7,9,11,26H2,(H,27,33)(H,29,30);1H/t13-,19?;/m1./s1
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| InChIKey |
OKEWQZMZJKANPL-LXGHZNGXSA-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