General Information of the Compound
| Compound ID |
CP0018050
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| Compound Name |
4-amino-6-[[(1S)-1-[6-[3-[[4-[benzyl(methyl)amino]butyl-methylamino]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 |
C35H40N8OS
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| Molecular Weight |
620.827
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1
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| InChI |
InChI=1S/C35H40N8OS/c1-24-22-45-31-18-29(25(2)40-34-30(19-36)33(37)38-23-39-34)32(35(44)43(24)31)28-14-10-13-27(17-28)21-42(4)16-9-8-15-41(3)20-26-11-6-5-7-12-26/h5-7,10-14,17-18,22-23,25H,8-9,15-16,20-21H2,1-4H3,(H3,37,38,39,40)/t25-/m0/s1
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| InChIKey |
MZCSWWRTOMUDSB-VWLOTQADSA-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