General Information of the Compound
| Compound ID |
CP0084964
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| Compound Name |
CHEMBL2386629
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| Formula |
C18H22F3N5O
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| Molecular Weight |
381.402
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| Canonical SMILES |
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
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| InChI |
InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1
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| InChIKey |
HIXYDBSLZYKHEU-IJLUTSLNSA-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: PT01540, Non-receptor tyrosine-protein kinase TYK2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01659, Tyrosine-protein kinase JAK1