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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012955

(1S,2R,4R,5Z,12R,13S,16Z)-25-[(1R)-8-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Formula: C36H48N4O2  |  Mol. Weight: 568.80 g/mol

IUPAC: (1S,2R,4R,5Z,12R,13S,16Z)-25-[(1R)-8-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

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Overview

Molecular Formula C36H48N4O2
Molecular Weight 568.80 g/mol
Canonical SMILES C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6C7=C(CCN6)C8=C(N7)C(=CC=C8)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy