General Information of the Compound
| Compound ID |
CP0969387
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| Compound Name |
(2S)-2-amino-4-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]propyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C26H38N10O9
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| Molecular Weight |
634.651
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C26H38N10O9/c27-13(25(41)42)3-5-34(4-1-2-12-7-35(26(43)33-21(12)28)17-6-14(38)16(9-37)44-17)8-15-19(39)20(40)24(45-15)36-11-32-18-22(29)30-10-31-23(18)36/h7,10-11,13-17,19-20,24,37-40H,1-6,8-9,27H2,(H,41,42)(H2,28,33,43)(H2,29,30,31)/t13-,14-,15+,16+,17+,19+,20+,24+/m0/s1
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| InChIKey |
PPRLLXWENDHHFB-NNWMAJRVSA-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