General Information of the Compound
| Compound ID |
CP0023014
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| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[[3-(methylaminomethyl)phenyl]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 |
C24H25N7OS
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| Molecular Weight |
459.579
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| Canonical SMILES |
CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1
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| InChI |
InChI=1S/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/m0/s1
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| InChIKey |
RTIHEFJLMDWVJV-HNNXBMFYSA-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