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Amb35799760

Duplicate ID
Molecule Name Voruciclib
(2S,3R)-Voruciclib
1-Bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene
SmilesCN1CC[C@@H]([C@H]1CO)c1c2OC(=CC(=O)c2c(O)cc1O)c1ccc(cc1Cl)C(F)(F)F
Cas Number 1000023-04-0
1393441-69-4
InchiKeyMRPGRAKIAJJGMM-GXTWGEPZSA-N
InChi InChI=1S/C22H19ClF3NO5/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/t12-,14+/m0/s1
Formula C22H19ClF3NO5
Molecular weight 469.838
Rings 4
logP 4.2613
PSA 94.14
MR 116.838
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