General Information of the Compound
| Compound ID |
CP0011722
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| Compound Name |
cyclopropyl-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C20H26N8O
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| Molecular Weight |
394.483
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C
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| InChI |
InChI=1S/C20H26N8O/c1-4-28-12(2)15(9-23-28)18-25-16-17(21-11-22-19(16)26(18)3)24-14-7-8-27(10-14)20(29)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,22,24)/t14-/m0/s1
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| InChIKey |
NTKPQCCDQCAPJW-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