General Information of the Compound
| Compound ID |
CP0444695
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| Compound Name |
4-[[4-(2-chloropyridin-4-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 |
C26H25ClN4O2
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| Molecular Weight |
460.965
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2ccnc(Cl)c2)c2cccn2n1
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| InChI |
InChI=1S/C26H25ClN4O2/c27-25-16-19(11-12-28-25)18-9-7-17(8-10-18)14-20-15-22(30-31-13-3-5-23(20)31)26(33)29-21-4-1-2-6-24(21)32/h3,5,7-13,15-16,21,24,32H,1-2,4,6,14H2,(H,29,33)/t21-,24-/m0/s1
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| InChIKey |
AXSQBLCJZCBFAX-URXFXBBRSA-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