General Information of the Compound
| Compound ID |
CP0395542
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| Compound Name |
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-N-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]butanamide
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| Structure |
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| Formula |
C22H32N10O4S
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| Molecular Weight |
532.631
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| Canonical SMILES |
CN1CCn2nc(CNC(=O)[C@@H](N)CCSC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)cc2C1
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| InChI |
InChI=1S/C22H32N10O4S/c1-30-3-4-32-13(8-30)6-12(29-32)7-25-21(35)14(23)2-5-37-9-15-17(33)18(34)22(36-15)31-11-28-16-19(24)26-10-27-20(16)31/h6,10-11,14-15,17-18,22,33-34H,2-5,7-9,23H2,1H3,(H,25,35)(H2,24,26,27)/t14-,15+,17+,18+,22+/m0/s1
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| InChIKey |
ZULMVCHPUUCIIY-ARTPSBNFSA-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