General Information of the Compound
| Compound ID |
CP0968123
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| Compound Name |
(2S)-2-amino-4-[2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]sulfanylethyl-[[(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 |
C25H36N10O9S
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| Molecular Weight |
652.691
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1SCCN(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/C25H36N10O9S/c26-11(24(40)41)1-2-33(3-4-45-15-7-34(25(42)32-20(15)27)16-5-12(37)14(8-36)43-16)6-13-18(38)19(39)23(44-13)35-10-31-17-21(28)29-9-30-22(17)35/h7,9-14,16,18-19,23,36-39H,1-6,8,26H2,(H,40,41)(H2,27,32,42)(H2,28,29,30)/t11-,12-,13+,14+,16+,18+,19+,23+/m0/s1
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| InChIKey |
VDGACBUPWCSUAZ-CAFPUMNPSA-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