General Information of the Compound
| Compound ID |
CP0133786
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| Compound Name |
(4S)-4-(4-fluorophenyl)-N-[5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
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| Structure |
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| Formula |
C27H28FN5O6
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| Molecular Weight |
537.548
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| Canonical SMILES |
COC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)c1=O
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| InChI |
InChI=1S/C27H28FN5O6/c1-16-4-9-19(33-27(38)32(25(36)12-29-33)13-20(34)15-39-3)10-23(16)30-26(37)22-14-31(2)24(35)11-21(22)17-5-7-18(28)8-6-17/h4-10,12,14,20-21,34H,11,13,15H2,1-3H3,(H,30,37)/t20-,21+/m1/s1
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| InChIKey |
AXCQGTYDWZDCCM-RTWAWAEBSA-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