Am 80 - Compound Summary (CID 108143)
has retinoid-binding activity
  Table of Contents
 Drug and Chemical Information: (Total:1)
 BioActivity Results:
Tested in BioAssays: All: 61 Inactive: 61
BioActivity Summary: This Compound with Similar Compounds
AID: 179 Source: DTP/NCI
NCI AIDS Antiviral Assay
AID: 145 Source: DTP/NCI
NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line
AID: 143 Source: DTP/NCI
NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line
AID: 141 Source: DTP/NCI
NCI human tumor cell line growth inhibition assay. Data for the TK-10 Renal cell line
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 Properties Computed from Structure:
| Molecular Weight | 351.4388 [g/mol] | | Molecular Formula | C22H25NO3 | | XLogP3-AA | 5.4 | | H-Bond Donor | 2 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 3 | | Tautomer Count | 2 | | Exact Mass | 351.183444 | | MonoIsotopic Mass | 351.183444 | | Topological Polar Surface Area | 66.4 | | Heavy Atom Count | 26 | | Formal Charge | 0 | | Complexity | 546 | | 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: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
Canonical SMILES: CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C
InChI: InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,
4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,
11-12H2,1-4H3,(H,23,24)(H,25,26)
InChIKey: MUTNCGKQJGXKEM-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 23 Links Same structure: 19 Links Mixture: 4 LinksCategory: [for same structure substances]
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| Compound ID | 108143 |
| | Molecular Weight | 351.4388 [g/mol] |
| | Molecular Formula | C22H25NO3 |
| | XLogP3-AA | 5.4 |
| | H-Bond Donor | 2 |
| | H-Bond Acceptor | 3 |
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Literature
