(Q76754193)

English

(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

chemical compound

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Statements

type of chemical entity

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chemical compound

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650.25877158 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₃₅FN₈O₂S

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canonical SMILES

CSC1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NC=CC=N4)C(=O)NC5=CC6=C(C=C5)NN=C6C7=CC=C(C=C7)F

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Identifiers

InChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1

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MRHUCFAJTNKMCG-DHUJRADRSA-N

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1 reference

matched by identifier from

MRHUCFAJTNKMCG-DHUJRADRSA-N

UniChem compound ID

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