General Information of the Compound
| Compound ID |
CP0093554
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| Compound Name |
BIIB-057
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| Synonyms |
P-14276
P-505-15
PRT-062607
Syk tyrosine kinase inhibitors (oral, cancers/inflammatory diseases/thrombosis), Portola
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| Structure |
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| Formula |
C19H23N9O
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| Molecular Weight |
393.455
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| Canonical SMILES |
N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1
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| InChI |
InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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| InChIKey |
TXGKRVFSSHPBAJ-JKSUJKDBSA-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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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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Clinical Information about the Compound