General Information of the Compound
| Compound ID |
CP0012987
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| Compound Name |
(3S)-3-benzyl-3-methyl-5-(9-methylpurin-6-yl)-1H-indol-2-one
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| Structure |
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| Formula |
C22H19N5O
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| Molecular Weight |
369.428
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| Canonical SMILES |
Cn1cnc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C22H19N5O/c1-22(11-14-6-4-3-5-7-14)16-10-15(8-9-17(16)26-21(22)28)18-19-20(24-12-23-18)27(2)13-25-19/h3-10,12-13H,11H2,1-2H3,(H,26,28)/t22-/m0/s1
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| InChIKey |
NQXCKWSIQSYSKN-QFIPXVFZSA-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