General Information of the Compound
| Compound ID |
CP0445351
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| Compound Name |
N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C26H30N6O3S
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| Molecular Weight |
506.632
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1
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| InChI |
InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30)
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| InChIKey |
FXEXWMOKUBELTG-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