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Amb33950796

Duplicate ID
Molecule Name Voruciclib
SmilesCl.CN1CC[C@H]([C@@H]1CO)c1c2OC(=CC(=O)c2c(O)cc1O)c1ccc(cc1Cl)C(F)(F)F
InchiKeyQCWRANLELLMJSH-OJMBIDBESA-N
InChi InChI=1S/C22H19ClF3NO5.ClH/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26;/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3;1H/t12-,14+;/m1./s1
Formula C22H20Cl2F3NO5
Molecular weight 506.299
Rings 4
logP 5.0633
PSA 94.14
MR 123.803
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