General Information of the Compound
| Compound ID |
CP0957060
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| Compound Name |
(R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3,4-dihydro-2H-pyrazole-3-carboxylic acid amide HCl
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| Structure |
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| Formula |
C14H16ClF3N4O2
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| Molecular Weight |
364.755
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| Canonical SMILES |
Cl.NC(=O)C1CC=NN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C14H15F3N4O2.ClH/c15-9-6-11(17)10(16)4-7(9)3-8(18)5-13(22)21-12(14(19)23)1-2-20-21;/h2,4,6,8,12H,1,3,5,18H2,(H2,19,23);1H/t8-,12?;/m1./s1
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| InChIKey |
MMSMHPPOKWNNCT-CFKUEIMKSA-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