General Information of the Compound
| Compound ID |
CP0563589
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| Compound Name |
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolane-3,4-diol;hydrochloride
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| Structure |
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| Formula |
C19H27ClF2N6O3
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| Molecular Weight |
460.913
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| Canonical SMILES |
Cl.Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CC(F)(F)CC22CCNCC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H26F2N6O3.ClH/c20-19(21)8-18(2-4-23-5-3-18)26(9-19)7-12-13(28)14(29)17(30-12)27-6-1-11-15(22)24-10-25-16(11)27;/h1,6,10,12-14,17,23,28-29H,2-5,7-9H2,(H2,22,24,25);1H/t12-,13-,14-,17-;/m1./s1
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| InChIKey |
OOYJVUIGFXMRTL-SZTAYTFXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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