General Information of the Compound
| Compound ID |
CP0542989
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| Compound Name |
CHEMBL5087888
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| Formula |
C22H25F3N6O2
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| Molecular Weight |
462.476
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2ccc3c(ccn(CCO)c3=O)c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N6O2/c23-22(24,25)18-12-27-21(30-19(18)28-15-3-1-14(26)2-4-15)29-16-5-6-17-13(11-16)7-8-31(9-10-32)20(17)33/h5-8,11-12,14-15,32H,1-4,9-10,26H2,(H2,27,28,29,30)/t14-,15+
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| InChIKey |
UDNSYBLAQJWMCI-GASCZTMLSA-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