General Information of the Compound
| Compound ID |
CP0247406
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| Compound Name |
8-[[3-(4-benzoylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
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| Structure |
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| Formula |
C26H26FN5O3
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| Molecular Weight |
475.524
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H26FN5O3/c27-21-9-8-17(16-22-23-19(7-4-10-28-23)24(33)30-29-22)15-20(21)26(35)32-13-11-31(12-14-32)25(34)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2,(H,30,33)
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| InChIKey |
SXXZJCHRUKKCEB-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