General Information of the Compound
| Compound ID |
CP0081362
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| Compound Name |
4-fluoro-2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)pyridin-2-yl]phenol
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| Structure |
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| Formula |
C27H23FN4O2
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| Molecular Weight |
454.505
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| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O
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| InChI |
InChI=1S/C27H23FN4O2/c1-16-21-11-18(7-9-24(21)32-31-16)22-13-20(30-25(15-33)17-5-3-2-4-6-17)14-29-27(22)23-12-19(28)8-10-26(23)34/h2-14,25,30,33-34H,15H2,1H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
QXIOZIFTPMAING-VWLOTQADSA-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: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01115, Fibroblast growth factor receptor 2
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT00864, Vascular endothelial growth factor receptor 2