General Information of the Compound
| Compound ID |
CP0891319
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| Compound Name |
(2S)-2-((S)-2,4-dimethylpiperazin-1-yl)-N-(3-(2-(3-ethoxy-1-methyl-1H-pyrazol-4-ylamino)-5-fluoropyrimidin-4-yl)-1H-indol-7-yl)propanamide
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| Structure |
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| Formula |
C27H34FN9O2
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| Molecular Weight |
535.628
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| Canonical SMILES |
CCOc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)[C@H](C)N4CCN(C)C[C@@H]4C)cccc23)n1
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| InChI |
InChI=1S/C27H34FN9O2/c1-6-39-26-22(15-36(5)34-26)32-27-30-13-20(28)23(33-27)19-12-29-24-18(19)8-7-9-21(24)31-25(38)17(3)37-11-10-35(4)14-16(37)2/h7-9,12-13,15-17,29H,6,10-11,14H2,1-5H3,(H,31,38)(H,30,32,33)/t16-,17-/m0/s1
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| InChIKey |
KUIUFOLGSATLQM-IRXDYDNUSA-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