General Information of the Compound
| Compound ID |
CP0014927
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| Compound Name |
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-phenyl-1H-indol-2-one
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| Structure |
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| Formula |
C27H23N7O
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| Molecular Weight |
461.529
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| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@](C)(c2c1)c1ccccc1)-c1cnc(C)nc1
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| InChI |
InChI=1S/C27H23N7O/c1-4-34-24(18-13-28-16(2)29-14-18)33-23-22(30-15-31-25(23)34)17-10-11-21-20(12-17)27(3,26(35)32-21)19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,32,35)/t27-/m0/s1
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| InChIKey |
XZJSCCOXDJUBQU-MHZLTWQESA-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