1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid

2.1.2 InChI

InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)

2.1.3 InChI Key

WNDDDFYFTSGSEC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCC(=O)O)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Rp-001

2. Rp001

3. Schembl1878411

4. Chembl3960697

5. Gtpl10309

6. Ex-a3540

7. Rp 001

8. Ncgc00371010-02

9. Hy-101939

10. Cs-0022196

11. 3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1h-inden-1-yl]amino]propanoic Acid

2.3 Create Date

2011-03-11

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₄N₄O₄
Molecular Weight	432.5 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	121
Heavy Atom Count	32
Formal Charge	0
Complexity	695
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

RP 001

RP 001

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