General Information of the Compound
| Compound ID |
CP0476628
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| Compound Name |
N-[(1S,2S)-2,4-dihydroxycyclohexyl]-6-(hydroxymethyl)-1-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H28N4O5
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| Molecular Weight |
452.511
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| Canonical SMILES |
Cn1c(CO)c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c1=O
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| InChI |
InChI=1S/C24H28N4O5/c1-27-21(14-29)16(11-15-3-5-17(6-4-15)28-10-2-9-25-28)12-19(24(27)33)23(32)26-20-8-7-18(30)13-22(20)31/h2-6,9-10,12,18,20,22,29-31H,7-8,11,13-14H2,1H3,(H,26,32)/t18?,20-,22-/m0/s1
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| InChIKey |
JJDXPLMAEVFWRK-KAOUJKNGSA-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