General Information of the Compound
| Compound ID |
CP0484871
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| Compound Name |
N-[2-[2-[3-fluoro-4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C28H34FN7O4S
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| Molecular Weight |
583.69
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| Canonical SMILES |
COc1c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)ccc(N2CCN(C[C@H](C)O)CC2)c1F
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| InChI |
InChI=1S/C28H34FN7O4S/c1-19(37)18-34-13-15-35(16-14-34)25-12-10-22(27(40-3)26(25)29)31-28-30-17-20-9-11-24(36(20)32-28)21-7-5-6-8-23(21)33(2)41(4,38)39/h5-12,17,19,37H,13-16,18H2,1-4H3,(H,31,32)/t19-/m0/s1
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| InChIKey |
AOVRLAMVRJTDOB-IBGZPJMESA-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