General Information of the Compound
| Compound ID |
CP0013381
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| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-(oxetan-3-ylmethyl)-1H-indol-2-one
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| Structure |
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| Formula |
C25H25N7O2
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| Molecular Weight |
455.522
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3COC3)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C25H25N7O2/c1-4-32-22(17-9-26-14(2)27-10-17)31-21-20(28-13-29-23(21)32)16-5-6-19-18(7-16)25(3,24(33)30-19)8-15-11-34-12-15/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3,(H,30,33)/t25-/m0/s1
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| InChIKey |
RUZBPFNSWMWABO-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