General Information of the Compound
| Compound ID |
CP0023939
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| Compound Name |
4-amino-6-[[(1S)-1-[6-[3-[2-(dimethylamino)ethyl]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 |
C25H27N7OS
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| Molecular Weight |
473.606
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1
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| InChI |
InChI=1S/C25H27N7OS/c1-15-13-34-21-11-19(16(2)30-24-20(12-26)23(27)28-14-29-24)22(25(33)32(15)21)18-7-5-6-17(10-18)8-9-31(3)4/h5-7,10-11,13-14,16H,8-9H2,1-4H3,(H3,27,28,29,30)/t16-/m0/s1
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| InChIKey |
NIJFKIZOLGBDPD-INIZCTEOSA-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