General Information of the Compound
| Compound ID |
CP0010604
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| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-[[(3S)-oxolan-3-yl]amino]-1H-indol-2-one
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| Structure |
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| Formula |
C25H26N8O2
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| Molecular Weight |
470.537
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(N[C@H]3CCOC3)c2c1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C25H26N8O2/c1-4-33-22(16-10-26-14(2)27-11-16)31-21-20(28-13-29-23(21)33)15-5-6-19-18(9-15)25(3,24(34)30-19)32-17-7-8-35-12-17/h5-6,9-11,13,17,32H,4,7-8,12H2,1-3H3,(H,30,34)/t17-,25-/m0/s1
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| InChIKey |
OXTNSSBZJXRCGW-GKVSMKOHSA-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