General Information of the Compound
Compound ID |
CP0023537
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Compound Name |
4-amino-6-[[(1S)-1-[6-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
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Structure |
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Formula |
C29H34N8OS
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Molecular Weight |
542.713
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Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1
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InChI |
InChI=1S/C29H34N8OS/c1-18-16-39-25-13-23(19(2)34-28-24(14-30)27(31)32-17-33-28)26(29(38)37(18)25)21-7-5-6-20(12-21)15-36-10-8-22(9-11-36)35(3)4/h5-7,12-13,16-17,19,22H,8-11,15H2,1-4H3,(H3,31,32,33,34)/t19-/m0/s1
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InChIKey |
JSFPZUBRLYUNHU-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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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