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. 2014 Nov 25;5:5521. doi: 10.1038/ncomms6521

PA21A102. (R)-3-Amino-4-(4-fluorophenyl)-N-(4-(4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-yl)butanamide.

Molecular Weight: 384.42

Elemental Analysis: C, 65.61; H, 5.77; F, 9.88; N, 14.57; O, 4.16

Standard InChI: InChI=1S/C21H22F2N4O/c1-13-20(15-5-9-17(23)10-6-15)21(27(2)26-13)25-19(28)12-18(24)11-14-3-7-16(22)8-4-14/h3-10,18H,11-12,24H2,1-2H3,(H,25,28)/t18-/m1/s1

Standard InChIKey: DLIFLSQFCPOVPV-GOSISDBHSA-N

SMILES: CC1=NN(C)C(NC(C[C@@H](CC2=CC=C(F)C=C2)N)=O)=C1C3=CC=C(F)C=C3

View in PubChem

PA21A102

Chemical Formula: C21H22F2N4O