General Information of the Compound
| Compound ID |
CP0010973
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| Compound Name |
6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]oxy}-8-(1-ethyl-5-methyl- 1H-pyrazol-4-yl)-9-methyl-9H- purine
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C
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| InChI |
InChI=1S/C20H25N7O2/c1-4-27-12(2)15(9-23-27)17-24-16-18(25(17)3)21-11-22-19(16)29-14-7-8-26(10-14)20(28)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3/t14-/m0/s1
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| InChIKey |
XXLXWZKZZCNPJC-AWEZNQCLSA-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