General Information of the Compound
| Compound ID |
CP0193441
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| Compound Name |
2-[4-[3-methoxy-4-[[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 |
C28H33N7O4S
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| Molecular Weight |
563.684
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C28H33N7O4S/c1-33(40(3,37)38)24-7-5-4-6-22(24)25-11-9-21-17-30-28(32-35(21)25)31-23-10-8-20(16-26(23)39-2)19-12-14-34(15-13-19)18-27(29)36/h4-11,16-17,19H,12-15,18H2,1-3H3,(H2,29,36)(H,31,32)
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| InChIKey |
HATRKFPXWDUKPL-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