General Information of the Compound
| Compound ID |
CP0444698
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| Compound Name |
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1
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| InChI |
InChI=1S/C27H28N4O3/c1-34-26-13-12-20(17-28-26)19-10-8-18(9-11-19)15-21-16-23(30-31-14-4-6-24(21)31)27(33)29-22-5-2-3-7-25(22)32/h4,6,8-14,16-17,22,25,32H,2-3,5,7,15H2,1H3,(H,29,33)/t22-,25-/m1/s1
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| InChIKey |
IDDUDVHNQZFTKL-RCZVLFRGSA-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