General Information of the Compound
| Compound ID |
CP0014381
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| Compound Name |
(3S)-3-(cyclopropylmethyl)-3-methyl-5-(9-methylpurin-6-yl)-1H-indol-2-one
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
Cn1cnc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1
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| InChI |
InChI=1S/C19H19N5O/c1-19(8-11-3-4-11)13-7-12(5-6-14(13)23-18(19)25)15-16-17(21-9-20-15)24(2)10-22-16/h5-7,9-11H,3-4,8H2,1-2H3,(H,23,25)/t19-/m0/s1
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| InChIKey |
OEXQLSPJGFRUCV-IBGZPJMESA-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