Details of the Drug

General Information of Drug (ID: DMZ2LPO)

Drug Name

CD564

Synonyms

cd564; CHEMBL309282; 110952-26-6; 6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid; 2-Naphthalenecarboxylicacid, 6-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]-; 1fcy; ACMC-20mdu5; AC1L1E1W; SCHEMBL2391376; CTK0I1187; BDBM31886; DTXSID60274381; DB02741; 6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthoyl)-2-naphthoic acid; 6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

386.5

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C26H26O3
IUPAC Name: 6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
Canonical SMILES: CC1(CCC(C2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)(C)C)C
InChI: InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
InChIKey: RWYREGSYPCNZTL-UHFFFAOYSA-N