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Reference, SMILES, CAS, Chemical name...

Amb10010577

Duplicate ID
SmilesCc1cc(C)c2c(c1)sc(n2)N(C(=O)c1ccc2c(c1)OCCO2)CCn1cccn1
Cas Number 1171955-59-1
InchiKeyUHAWIMKMJFJIBP-UHFFFAOYSA-N
InChi InChI=1S/C23H22N4O3S/c1-15-12-16(2)21-20(13-15)31-23(25-21)27(9-8-26-7-3-6-24-26)22(28)17-4-5-18-19(14-17)30-11-10-29-18/h3-7,12-14H,8-11H2,1-2H3
Formula C23H22N4O3S
Molecular weight 434.511
Rings 5
logP 4.2278
PSA 97.72
MR 120.912
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