General Information of the Compound
| Compound ID |
CP0489421
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| Compound Name |
CHEMBL5088717
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| Formula |
C24H27F3N6O
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| Molecular Weight |
472.515
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2ccc3c(ccn(CC4CC4)c3=O)c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N6O/c25-24(26,27)20-12-29-23(32-21(20)30-17-5-3-16(28)4-6-17)31-18-7-8-19-15(11-18)9-10-33(22(19)34)13-14-1-2-14/h7-12,14,16-17H,1-6,13,28H2,(H2,29,30,31,32)/t16-,17+
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| InChIKey |
OBZSRMYVQKOCFK-CALCHBBNSA-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