General Information of the Compound
| Compound ID |
CP0215646
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| Compound Name |
N'-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-N-phenylpentanediamide
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| Structure |
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| Formula |
C25H26FN5O3
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| Molecular Weight |
463.513
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCCC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C25H26FN5O3/c26-19-12-11-16(15-21-24-18(8-5-13-27-24)25(34)31-30-21)14-20(19)29-23(33)10-4-9-22(32)28-17-6-2-1-3-7-17/h1-3,6-7,11-12,14,27H,4-5,8-10,13,15H2,(H,28,32)(H,29,33)(H,31,34)
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| InChIKey |
IBXSGJBZXROQGM-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