General Information of the Compound
| Compound ID |
CP0444696
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| Compound Name |
4-[[4-(5-cyanopyridin-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 |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2cncc(c2)C#N)c2cccn2n1
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| InChI |
InChI=1S/C27H25N5O2/c28-15-19-13-22(17-29-16-19)20-9-7-18(8-10-20)12-21-14-24(31-32-11-3-5-25(21)32)27(34)30-23-4-1-2-6-26(23)33/h3,5,7-11,13-14,16-17,23,26,33H,1-2,4,6,12H2,(H,30,34)/t23-,26-/m0/s1
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| InChIKey |
SLWBTCDSITWLMT-OZXSUGGESA-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