General Information of the Compound
| Compound ID |
CP0551770
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| Compound Name |
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2cccnc2)c2cccn2n1
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| InChI |
InChI=1S/C26H26N4O2/c31-25-8-2-1-6-22(25)28-26(32)23-16-21(24-7-4-14-30(24)29-23)15-18-9-11-19(12-10-18)20-5-3-13-27-17-20/h3-5,7,9-14,16-17,22,25,31H,1-2,6,8,15H2,(H,28,32)/t22-,25-/m1/s1
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| InChIKey |
GQTBMPMAVUMHQO-RCZVLFRGSA-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