General Information of the Compound
| Compound ID |
CP0192746
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| Compound Name |
2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
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| Structure |
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| Formula |
C27H35N7O2S
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| Molecular Weight |
521.691
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| Canonical SMILES |
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)C(C)(C)O)nc2n1
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| InChI |
InChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24-23(25(31-26)33-13-15-36-16-14-33)37-22(29-24)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3
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| InChIKey |
XVGNNJYNGSLHSX-UHFFFAOYSA-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