General Information of the Compound
| Compound ID |
CP0553350
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cc1
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| InChI |
InChI=1S/C25H27N5O2/c1-29-16-20(15-26-29)18-10-8-17(9-11-18)13-19-14-22(28-30-12-4-6-23(19)30)25(32)27-21-5-2-3-7-24(21)31/h4,6,8-12,14-16,21,24,31H,2-3,5,7,13H2,1H3,(H,27,32)/t21-,24-/m0/s1
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| InChIKey |
ZSJULDPKANDWOC-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