General Information of the Compound
| Compound ID |
CP0444697
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| Compound Name |
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[[4-(6-methylpyridin-2-yl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
Cc1cccc(n1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1
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| InChI |
InChI=1S/C27H28N4O2/c1-18-6-4-8-22(28-18)20-13-11-19(12-14-20)16-21-17-24(30-31-15-5-9-25(21)31)27(33)29-23-7-2-3-10-26(23)32/h4-6,8-9,11-15,17,23,26,32H,2-3,7,10,16H2,1H3,(H,29,33)/t23-,26-/m1/s1
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| InChIKey |
GQURUJDVOWEJGX-ZEQKJWHPSA-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