General Information of the Compound
| Compound ID |
CP0572108
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| Compound Name |
CHEMBL5069893
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| Formula |
C21H25F3N6O
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| Molecular Weight |
434.466
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2ccc(NC(=O)C3CC3)cc2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N6O/c22-21(23,24)17-11-26-20(30-18(17)27-14-5-3-13(25)4-6-14)29-16-9-7-15(8-10-16)28-19(31)12-1-2-12/h7-14H,1-6,25H2,(H,28,31)(H2,26,27,29,30)/t13-,14+
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| InChIKey |
AZMRFBIYDLXEKE-OKILXGFUSA-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3