General Information of the Compound
| Compound ID |
CP0444682
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| Compound Name |
N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]pyridin-4-yl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C18H19F3N6O3
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| Molecular Weight |
424.383
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| Canonical SMILES |
CO[C@@H](C)c1cc(ccn1)-c1noc(n1)[C@H](C)NC(=O)c1cc(nn1C)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N6O3/c1-9(23-16(28)13-8-14(18(19,20)21)25-27(13)3)17-24-15(26-30-17)11-5-6-22-12(7-11)10(2)29-4/h5-10H,1-4H3,(H,23,28)/t9-,10-/m0/s1
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| InChIKey |
JQXRZMLQJILMDA-UWVGGRQHSA-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