Pf-03882845
(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid
Molecular Identity
Pf-03882845
(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid
PubChem CID: 46871935
2D Structure
Properties
C24H22ClN3O2
Molecular Formula
419.90
Molecular Weight
g/mol
419.1401
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
76.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
755
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)C2C3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)OIsomeric SMILES
SMILES: C1CCC(C1)[C@H]2[C@H]3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)OSynonyms(20)
1023650-66-9PF-03882845PF-388284534ZKU73FU3(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acidDTXSID70144940PF3882845(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo(g)indazole-7-carboxylic acidRefChem:172227DTXCID9067431PF 3882845PF03882845(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-2H,3H,3aH,4H,5H-benzo(g)indazole-7-carboxylic acidUNII-34ZKU73FU3CHEMBL1215331
Data from PubChem (NCBI)
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