CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2N2C[C@H](O)C[C@@H]2C(=O)N(C)OC)cn1
이름: (2R,4R)-1-[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]-4-hydroxy-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILES: CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2N2C[C@H](O)C[C@@H]2C(=O)N(C)OC)cn1

Molecular Processing

Molecular formula
C26H28N6O6S
Molecular weight
552.61
Exact mass
552.1791
XLogP
2.57
TPSA
150.84
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
142.9

Supplementary Information

InChIKey: RCZLRNWADMPDAK-OPAMFIHVSA-N
동의어
SCHEMBL2646790RCZLRNWADMPDAK-OPAMFIHVSA-N(2R,4R)-1-(6-(6-ethanesulfonyl-pyridin-3-yloxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-4-hydroxy-pyrrolidin-2-carboxylic acid methoxy-methyl-amide
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