General Information of the Compound
| Compound ID |
CP0507136
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| Compound Name |
2-[4-[4-[[5-hydroxy-7-[2-[methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C28H33N7O5S
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| Molecular Weight |
579.683
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(O)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C28H33N7O5S/c1-33(41(3,38)39)22-7-5-4-6-20(22)23-15-25(36)24-16-30-28(32-35(23)24)31-21-9-8-19(14-26(21)40-2)18-10-12-34(13-11-18)17-27(29)37/h4-9,14-16,18,36H,10-13,17H2,1-3H3,(H2,29,37)(H,31,32)
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| InChIKey |
AITUNRWYIBUMJS-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