General Information of the Compound
| Compound ID |
CP0870306
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(7-(oxetan-3-ylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C19H19ClFN5O3
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| Molecular Weight |
419.844
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(NC3COC3)ccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C19H19ClFN5O3/c1-11(12-2-3-15(20)16(21)6-12)22-18(27)8-26-19(28)25-5-4-13(7-17(25)24-26)23-14-9-29-10-14/h2-7,11,14,23H,8-10H2,1H3,(H,22,27)/t11-/m0/s1
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| InChIKey |
XQMLNAAUBSQVNK-NSHDSACASA-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