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ZINC00881983,ASN 03437813,4-(3-Cyclopentylamino-7-methyl-imidazo[1,2-a

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摘 要:ZINC00881983,ASN 03437813,4-(3-Cyclopentylamino-7-methyl-imidazo[1,2-a]pyridin-2-yl)-benzene-1,2-diol, 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]benzene-1,,2-diol,Canonical SMILES: CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C4=CC(=C(C=C4)O)O,InCh
[Synonyms]
ZINC00881983
ASN 03437813
4-(3-Cyclopentylamino-7-methyl-imidazo[1,2-a]pyridin-2-yl)-benzene-1,2-diol

[Structure]
ZINC00881983,ASN 03437813,4-(3-Cyclopentylamino-7-methyl-imidazo[1,2-a

[ Properties Computed from Structure]
Molecular Weight323.38894 [g/mol]
Molecular FormulaC19H21N3O2
XLogP1.5
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count18
Exact Mass323.163377
MonoIsotopic Mass323.163377
Topological Polar Surface Area69.8
Heavy Atom Count24
Formal Charge0
Complexity429
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: 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]benzene-1,
2-diol
Canonical SMILES: CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C4=CC(=C(C=C4)O)O
InChI: InChI=1/C19H21N3O2/c1-12-8-9-22-17(10-12)21-18(13-6-7-15(23)16(24)11-13)
19(22)20-14-4-2-3-5-14/h6-11,14,20,23-24H,2-5H2,1H3

 
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