General Information of the Compound
| Compound ID |
CP0636232
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| Compound Name |
DELGOCITINIB
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| Synonyms |
1,6-Diazaspiro(3.4)octane-1-propanenitrile, 3-methyl-beta-oxo-6-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-, (3S,4R)-
1263774-59-9
3-((3S,4R)-3-methyl-6-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1,6-diazaspiro(3.4)octan-1-yl)-3-oxopropanenitrile
9L0Q8KK220
CS-0031558
D11046
Delgocitinib
Delgocitinib (JAN/USAN)
Delgocitinib [USAN]
GTPL9619
HY-109053
JTE-052
JTE-052A
JTE052
LEO 124249
LEO 124249A
SCHEMBL12547007
UNII-9L0Q8KK220
delgocitinib
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| Structure |
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| Formula |
C16H18N6O
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| Molecular Weight |
310.361
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| Canonical SMILES |
C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2
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| InChI |
InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
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| InChIKey |
LOWWYYZBZNSPDT-ZBEGNZNMSA-N
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| CAS |
1263774-59-9
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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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Clinical Information about the Compound