General Information of the Compound
| Compound ID |
CP0387137
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| Compound Name |
N-[(1S,2S)-2,5-dihydroxycyclohexyl]-6-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
Cc1[nH]c(=O)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CC(O)CC[C@@H]1O
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| InChI |
InChI=1S/C23H26N4O4/c1-14-16(11-15-3-5-17(6-4-15)27-10-2-9-24-27)12-19(22(30)25-14)23(31)26-20-13-18(28)7-8-21(20)29/h2-6,9-10,12,18,20-21,28-29H,7-8,11,13H2,1H3,(H,25,30)(H,26,31)/t18?,20-,21-/m0/s1
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| InChIKey |
ISSGONJRBPLNHI-LLQWEQGGSA-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