General Information of the Compound
Compound ID |
CP0088382
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Compound Name |
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
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Synonyms |
1527473-33-1
3-(4-morpholino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
3FE
AK174244
AKOS025404704
AOB5482
BC600699
BCP14890
BDBM50059277
BHTWDJBVZQBRKP-UHFFFAOYSA-N
CHEMBL3393348
CS-3553
DA-44137
EX-A560
FT-0700214
GTPL8054
HY-12477
J-690197
MolPort-039-137-476
NCGC00390733-02
PF 06447475
PF-06447475
PF-06447475, >
PF06447475
QC-11808
SB17260
SCHEMBL15401353
ZINC210747484
s8202
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Structure |
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Formula |
C17H15N5O
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Molecular Weight |
305.341
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Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
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InChI |
InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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InChIKey |
BHTWDJBVZQBRKP-UHFFFAOYSA-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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PubChem ID | |||||||||||||||||||
ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Protein ID: PT01150, Serine/threonine-protein kinase 3
Protein ID: PT01768, Serine/threonine-protein kinase 4
Clinical Information about the Compound