General Information of the Compound
| Compound ID |
CP0355772
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| Compound Name |
6-(4-(4-fluorobenzoyl)piperidin-1-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C25H25FN4O3
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| Molecular Weight |
448.498
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H25FN4O3/c26-20-8-6-18(7-9-20)24(32)19-12-14-30(15-13-19)23-11-10-21(28-29-23)25(33)27-16-22(31)17-4-2-1-3-5-17/h1-11,19,22,31H,12-16H2,(H,27,33)
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| InChIKey |
RSPGODWWHKNLIZ-UHFFFAOYSA-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