General Information of the Compound
Compound ID |
CP0920629
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Compound Name |
(R)-2-((S)-2,4-dimethylpiperazin-1-yl)-N-(3-(2-(3-methoxy-1-methyl-1H-pyrazol-4-ylamino)pyrimidin-4-yl)-1H-indol-7-yl)propanamide
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Structure |
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Formula |
C26H33N9O2
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Molecular Weight |
503.611
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Canonical SMILES |
COc1nn(C)cc1Nc1nccc(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)C[C@@H]4C)cccc23)n1
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InChI |
InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17+/m0/s1
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InChIKey |
UAKGPERAUAMZPO-DLBZAZTESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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