General Information of the Compound
| Compound ID |
CP0001622
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| Compound Name |
(2S)-2-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-morpholin-4-ylpropan-1-one
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| Structure |
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| Formula |
C19H26N8O2
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| Molecular Weight |
398.471
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(N[C@@H](C)C(=O)N3CCOCC3)ncnc2n1C
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| InChI |
InChI=1S/C19H26N8O2/c1-5-27-13(3)14(10-22-27)17-24-15-16(20-11-21-18(15)25(17)4)23-12(2)19(28)26-6-8-29-9-7-26/h10-12H,5-9H2,1-4H3,(H,20,21,23)/t12-/m0/s1
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| InChIKey |
FCVYQXINZPUIGX-LBPRGKRZSA-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