General Information of the Compound
| Compound ID |
CP0128879
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| Compound Name |
2-(oxan-4-yl)-N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]acetamide
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| Structure |
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| Formula |
C22H33N5O3
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| Molecular Weight |
415.538
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1)[nH]c2=O
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| InChI |
InChI=1S/C22H33N5O3/c1-13(2)19-20-21(27-26-19)22(29)25-17(24-20)12-15-5-3-4-6-16(15)23-18(28)11-14-7-9-30-10-8-14/h13-16H,3-12H2,1-2H3,(H,23,28)(H,26,27)(H,24,25,29)/t15-,16+/m0/s1
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| InChIKey |
YYXRNUDRJVHKAD-JKSUJKDBSA-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