General Information of the Compound
| Compound ID |
CP0483861
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| Compound Name |
4-[[4-(5-carbamoylpyridin-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C27H27N5O3
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| Molecular Weight |
469.545
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| Canonical SMILES |
NC(=O)c1cncc(c1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cc1
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| InChI |
InChI=1S/C27H27N5O3/c28-26(34)21-13-20(15-29-16-21)18-9-7-17(8-10-18)12-19-14-23(31-32-11-3-5-24(19)32)27(35)30-22-4-1-2-6-25(22)33/h3,5,7-11,13-16,22,25,33H,1-2,4,6,12H2,(H2,28,34)(H,30,35)/t22-,25-/m0/s1
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| InChIKey |
AZBSXPLTLBQOGI-DHLKQENFSA-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