General Information of the Compound
| Compound ID |
CP0476715
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| Compound Name |
N-[(1S,2S)-2,4-dihydroxycyclohexyl]-1,6-dimethyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c(=O)n1C
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| InChI |
InChI=1S/C24H28N4O4/c1-15-17(12-16-4-6-18(7-5-16)28-11-3-10-25-28)13-20(24(32)27(15)2)23(31)26-21-9-8-19(29)14-22(21)30/h3-7,10-11,13,19,21-22,29-30H,8-9,12,14H2,1-2H3,(H,26,31)/t19?,21-,22-/m0/s1
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| InChIKey |
YHVBCTNQPIZXAN-GFUWAVFVSA-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