이름: 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanyl-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzoic acid
SMILES:
CC(C)C1=NC2=C(C=C1)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)O)SC4=CC=C(C=C4)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C28H29N5O4S
Molecular weight
531.64
Exact mass
531.194
XLogP
7.09
TPSA
126.33
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
148.53
Supplementary Information
InChIKey: XELIWGPYXPOELO-UHFFFAOYSA-N
동의어
SCHEMBL1455547XELIWGPYXPOELO-UHFFFAOYSA-N4-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid
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