General Information of the Compound
| Compound ID |
CP0542985
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| Compound Name |
CHEMBL5090728
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| Formula |
C18H21F3N6O
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| Molecular Weight |
394.401
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N6O/c19-18(20,21)14-9-24-17(26-13-5-1-10(2-6-13)15(23)28)27-16(14)25-12-7-3-11(22)4-8-12/h1-2,5-6,9,11-12H,3-4,7-8,22H2,(H2,23,28)(H2,24,25,26,27)/t11-,12+
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| InChIKey |
ASLOBMSYWWVZKE-TXEJJXNPSA-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