General Information of the Compound
| Compound ID |
CP0349484
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| Compound Name |
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
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| Structure |
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| Formula |
C22H29FN6O2
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| Molecular Weight |
428.512
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| Canonical SMILES |
CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4CCCNc34)ccc2F)CC1
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| InChI |
InChI=1S/C22H29FN6O2/c1-28-9-11-29(12-10-28)8-7-25-21(30)17-13-15(4-5-18(17)23)14-19-20-16(3-2-6-24-20)22(31)27-26-19/h4-5,13,24H,2-3,6-12,14H2,1H3,(H,25,30)(H,27,31)
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| InChIKey |
LTXGZFJBIQKXCW-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