20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
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![20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d525dc65b3e1422abb5a8c228a491717.png "20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one")
20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
structure -
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CAS No:
496023-63-3
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Formula:
C21H22N4O3S
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Chemical Name:
20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
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Synonyms:
CBKinase1_003728;CBKinase1_016128;ZINC1803326;STL305657;AKOS001058424;MCULE-5806388536;ST50049777;SR-01000266322;SR-01000266322-1;BRD-K06116697-001-01-9;Z31111159;20-{[2-(2-hydroxyethoxy)ethyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one;496023-63-3;5-{[2-(2-hydroxyethoxy)ethyl]amino}-7,9,10,11,12-pentahydrobenzo[b]thiopheno[2 ,3-d]phthalazino[2,1-a]pyrimidin-8-one;5-{[2-(2-hydroxyethoxy)ethyl]amino}-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
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CAS No:
20-[2-(2-hydroxyethoxy)ethylamino]-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one Basic Attributes
410.5 g/mol
410.14126175 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:410.14126175
Monoisotopic Mass:410.14126175
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:699
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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