General Information of the Compound
| Compound ID |
CP0025105
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| Compound Name |
4-amino-6-[[(1S)-1-[3-methyl-6-[3-[[4-[[methyl(2-methylpropyl)amino]methyl]piperidin-1-yl]methyl]phenyl]-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 |
C33H42N8OS
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| Molecular Weight |
598.821
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| Canonical SMILES |
CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1
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| InChI |
InChI=1S/C33H42N8OS/c1-21(2)16-39(5)17-24-9-11-40(12-10-24)18-25-7-6-8-26(13-25)30-27(14-29-41(33(30)42)22(3)19-43-29)23(4)38-32-28(15-34)31(35)36-20-37-32/h6-8,13-14,19-21,23-24H,9-12,16-18H2,1-5H3,(H3,35,36,37,38)/t23-/m0/s1
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| InChIKey |
PCOXTICCITXRPL-QHCPKHFHSA-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