General Information of the Compound
| Compound ID |
CP0164799
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| Compound Name |
Mavelertinib
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| Synonyms |
BCP17532
JYIUNVOCEFIUIU-RRKGBCIJSA-N
PF-06747775
PF06747775
SCHEMBL20274518
mavelertinib
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| Structure |
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| Formula |
C18H22FN9O2
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| Molecular Weight |
415.433
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| Canonical SMILES |
COc1nn(C)cc1Nc1nc(nc2n(C)cnc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C
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| InChI |
InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1
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| InChIKey |
JYIUNVOCEFIUIU-GHMZBOCLSA-N
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| CAS |
1776112-90-3
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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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01068, Receptor tyrosine-protein kinase erbB-3
Clinical Information about the Compound