General Information of the Compound
| Compound ID |
CP0871292
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid(pyridin-2-ylmethyl)amide HCl
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| Structure |
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| Formula |
C20H21ClF3N5O2
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| Molecular Weight |
455.868
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccccn1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C20H20F3N5O2.ClH/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(29)28-18(4-6-27-28)20(30)26-11-14-3-1-2-5-25-14;/h1-3,5-6,8,10,13,18H,4,7,9,11,24H2,(H,26,30);1H/t13-,18?;/m1./s1
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| InChIKey |
LKVNAQICXCTYDU-VCJQCBJBSA-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