General Information of the Compound
| Compound ID |
CP0574032
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| Compound Name |
CHEMBL5082524
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| Formula |
C19H23F3N6O
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| Molecular Weight |
408.428
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| Canonical SMILES |
Cc1cc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)ccc1C(N)=O
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| InChI |
InChI=1S/C19H23F3N6O/c1-10-8-13(6-7-14(10)16(24)29)27-18-25-9-15(19(20,21)22)17(28-18)26-12-4-2-11(23)3-5-12/h6-9,11-12H,2-5,23H2,1H3,(H2,24,29)(H2,25,26,27,28)/t11-,12+
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| InChIKey |
GOTKLXSYRKYLER-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