(Q76754646)

English

4-N-[(1S,5R)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylbenzene-1,4-dicarboxamide

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Statements

type of chemical entity

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chemical compound

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511.258339916 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₃N₅O₃

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canonical SMILES

Cc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)c(C)cc1C(N)=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3C4=NC=C(C=C4)C(=O)NCC5=CC=CC=C5)C)C(=O)N

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Identifiers

InChI=1S/C30H33N5O3/c1-18-13-26(19(2)12-25(18)28(31)36)30(38)34-22-14-23-9-10-24(15-22)35(23)27-11-8-21(17-32-27)29(37)33-16-20-6-4-3-5-7-20/h3-8,11-13,17,22-24H,9-10,14-16H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t22?,23-,24+

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CHQGBLRVADDSPY-CWAQXLGLSA-N

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UniChem compound ID

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