General Information of the Compound
| Compound ID |
CP0649592
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| Compound Name |
ULIXERTINIB
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| Synonyms |
BVD-523
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| Structure |
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| Formula |
C21H22Cl2N4O2
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| Molecular Weight |
433.339
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| Canonical SMILES |
CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1
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| InChI |
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
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| InChIKey |
KSERXGMCDHOLSS-LJQANCHMSA-N
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| CAS |
869886-67-9
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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: PT00850, Mitogen-activated protein kinase 1
Clinical Information about the Compound
Drug 1 ( BVD-523 )
| Drug Name | BVD-523 | ||
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| Company | Biomed valley discoveries | ||
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