ethyl 4-[[2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]acetyl]amino]benzoate
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ethyl 4-[[2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]acetyl]amino]benzoate
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CAS No:
497082-11-8
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Formula:
C20H20N4O3S2
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Chemical Name:
ethyl 4-[[2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
CBKinase1_004405;CBKinase1_016805;ZINC2249901;STK854892;AKOS002170302;MCULE-9707191979;SR-01000268495;SR-01000268495-1;BRD-K73573697-001-01-9;497082-11-8;ethyl 4-({[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
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CAS No:
ethyl 4-[[2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
428.5 g/mol
428.09768286 g/mol
Computed Properties
Molecular Weight:428.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:428.09768286
Monoisotopic Mass:428.09768286
Topological Polar Surface Area:161
Heavy Atom Count:29
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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