General Information of the Compound
| Compound ID |
CP0003895
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| Compound Name |
1-[(3S)-3-[[8-(2-tert-butyl-1,3-thiazol-5-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C20H27N7OS
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| Molecular Weight |
413.551
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| Canonical SMILES |
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C
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| InChI |
InChI=1S/C20H27N7OS/c1-6-14(28)27-8-7-12(10-27)24-16-15-18(23-11-22-16)26(5)17(25-15)13-9-21-19(29-13)20(2,3)4/h9,11-12H,6-8,10H2,1-5H3,(H,22,23,24)/t12-/m0/s1
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| InChIKey |
GAYWNNJZSJFFME-LBPRGKRZSA-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