General Information of the Compound
| Compound ID |
CP0388363
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| Compound Name |
N-[3-[[4-(4-acetylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
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| Structure |
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| Formula |
C31H31ClN6O4
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| Molecular Weight |
587.08
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCN(CC3)C(C)=O)c(Cl)c2=O)c1C
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| InChI |
InChI=1S/C31H31ClN6O4/c1-20-25(19-38-31(41)29(32)27(18-34-38)37-15-13-36(14-16-37)21(2)39)5-4-6-26(20)35-30(40)23-9-7-22(8-10-23)24-11-12-28(42-3)33-17-24/h4-12,17-18H,13-16,19H2,1-3H3,(H,35,40)
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| InChIKey |
VFOZGTRLWIEYPE-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