General Information of the Compound
| Compound ID |
CP0482389
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| Compound Name |
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
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| Structure |
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| Formula |
C18H19F2N5O2
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| Molecular Weight |
375.379
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| Canonical SMILES |
Cc1nnc(o1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C18H19F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h5,8-10,12,16H,2-4,6-7H2,1H3/t16-/m0/s1
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| InChIKey |
XNZJMXBRWHMCOG-INIZCTEOSA-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: PT05510, Receptor-interacting serine/threonine-protein kinase 1
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1