LG 100268 - Compound Summary (CID 3922)
a retinoid X receptor (RXR) selective compound; structure given in first source
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 363.49256 [g/mol] | | Molecular Formula | C24H29NO2 | | XLogP3-AA | 6.1 | | H-Bond Donor | 1 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 3 | | Exact Mass | 363.219829 | | MonoIsotopic Mass | 363.219829 | | Topological Polar Surface Area | 50.2 | | Heavy Atom Count | 27 | | Formal Charge | 0 | | Complexity | 591 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 6-[1-(3,5,5,8,8-pentamethyl-6, 7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
Canonical SMILES: CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)C3(CC3)C4=NC=C(C=C4)C(=O)O
InChI: InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,
2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,
1-5H3,(H,26,27)
InChIKey: SLXTWXQUEZSSTJ-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 22 Links Same structure: 11 Links Mixture: 11 LinksCategory: [for same structure substances]
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| Compound ID | 3922 |
| | Molecular Weight | 363.49256 [g/mol] |
| | Molecular Formula | C24H29NO2 |
| | XLogP3-AA | 6.1 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 3 |
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Literature
