General Information of the Compound
| Compound ID |
CP0475010
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| Compound Name |
N-[3-[[5-chloro-4-[3-(methylamino)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
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| Structure |
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| Formula |
C30H31ClN6O3
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| Molecular Weight |
559.07
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| Canonical SMILES |
CNC1CCN(C1)c1cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccc(OC)nc3)c2C)c(=O)c1Cl
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| InChI |
InChI=1S/C30H31ClN6O3/c1-19-23(17-37-30(39)28(31)26(16-34-37)36-14-13-24(18-36)32-2)5-4-6-25(19)35-29(38)21-9-7-20(8-10-21)22-11-12-27(40-3)33-15-22/h4-12,15-16,24,32H,13-14,17-18H2,1-3H3,(H,35,38)
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| InChIKey |
GWYXLDVXMGOIKD-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