General Information of the Compound
| Compound ID |
CP0014356
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| Compound Name |
6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]oxy}-9-ethyl-8-(2- methylpyrimidin-5-yl)-9H- purine
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| Structure |
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| Formula |
C20H23N7O2
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| Molecular Weight |
393.451
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| Canonical SMILES |
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
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| InChIKey |
KKLHCMCSZHFUHY-HNNXBMFYSA-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