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ZINC00936155,ST5205911, 3-amino-N-cyclohexyl-6-methyl-4-phenylthieno[5

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摘 要:ZINC00936155,ST5205911, 3-amino-N-cyclohexyl-6-methyl-4-phenylthieno[5,,4-b]pyridine-2-carboxamide,Canonical SMILES: CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(S2)C(=O)NC4CCCCC4)N,InChI: InChI=1/C21H23N3OS/c1-13-12-16(14-8-4-2-5-9-14)17-18(22)19(26-21(17)23-,1
[Synonyms]
ZINC00936155
ST5205911

[Structure]
ZINC00936155,ST5205911, 3-amino-N-cyclohexyl-6-methyl-4-phenylthieno[5

[ Properties Computed from Structure]
Molecular Weight365.49182 [g/mol]
Molecular FormulaC21H23N3OS
XLogP4.6
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count3
Exact Mass365.156183
MonoIsotopic Mass365.156183
Topological Polar Surface Area68
Heavy Atom Count26
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-amino-N-cyclohexyl-6-methyl-4-phenylthieno[5,
4-b]pyridine-2-carboxamide
Canonical SMILES: CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(S2)C(=O)NC4CCCCC4)N
InChI: InChI=1/C21H23N3OS/c1-13-12-16(14-8-4-2-5-9-14)17-18(22)19(26-21(17)23-
13)20(25)24-15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11,22H2,1H3,(H,
24,25)/f/h24H

 
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