General Information of the Compound
| Compound ID |
CP0533681
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| Compound Name |
N-[2-[2-[2,5-difluoro-4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C27H31F2N7O3S
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| Molecular Weight |
571.654
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| Canonical SMILES |
C[C@H](O)CN1CCN(CC1)c1cc(F)c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F
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| InChI |
InChI=1S/C27H31F2N7O3S/c1-18(37)17-34-10-12-35(13-11-34)26-15-21(28)23(14-22(26)29)31-27-30-16-19-8-9-25(36(19)32-27)20-6-4-5-7-24(20)33(2)40(3,38)39/h4-9,14-16,18,37H,10-13,17H2,1-3H3,(H,31,32)/t18-/m0/s1
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| InChIKey |
HDPANDPHTIZLQJ-SFHVURJKSA-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