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adavosertib

PropertiesImage
MNX_IDMNXM341122 Image of MNXM341122
referencechebi:91414
formulaC27H32N8O2
global charge0
mol weight500.607
InChIKeyBKWJAKQVGHWELA-UHFFFAOYSA-N
InChIInChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
SMILESC=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1
MNX internals
InChI (mnx)InChI=1/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) Image of MNXM341122
SMILES (mnx)[CH2:1]=[CH:5][CH2:13][N:34]1[C:25](=[O:36])[C:21]2=[CH:18][N:28]=[C:26]([NH:29][C:19]3=[CH:10][CH:12]=[C:20]([N:33]4[CH2:16][CH2:14][N:32]([CH3:4])[CH2:15][CH2:17]4)[CH:11]=[CH:9]3)[N:31]=[C:24]2[N:35]1[C:23]1=[CH:8][CH:6]=[CH:7][C:22]([C:27]([CH3:2])([CH3:3])[OH:37])=[N:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91414
chebi:91414
BKWJAKQVGHWELA-UHFFFAOYSA-N 		adavosertib
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
AZD 1775
AZD-1775
AZD1775
MK 1775
MK-1775
MK1775
adavosertibum

kegg.drug:D11361
keggD:D11361
BKWJAKQVGHWELA-UHFFFAOYSA-N 		Adavosertib (USAN)
hmdb:HMDB0254782
BKWJAKQVGHWELA-UHFFFAOYSA-N 		Adavosertib
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
2-Allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3H-pyrazolo(3,4-D)pyrimidin-3-one

keggD:M_D11361 		secondary/obsolete/fantasy identifier