General Information of the Compound
| Compound ID |
CP0508228
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| Compound Name |
2-[4-[3-methoxy-4-[[5-methyl-7-[2-[methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C29H35N7O4S
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| Molecular Weight |
577.711
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33)
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| InChIKey |
INVMLEPLZRDFOO-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