General Information of the Compound
| Compound ID |
CP0965141
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| Compound Name |
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]methyl-[[(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 |
C24H34N10O9
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| Molecular Weight |
606.597
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CN(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/C24H34N10O9/c25-11(23(39)40)1-2-32(4-10-5-33(24(41)31-19(10)26)15-3-12(36)14(7-35)42-15)6-13-17(37)18(38)22(43-13)34-9-30-16-20(27)28-8-29-21(16)34/h5,8-9,11-15,17-18,22,35-38H,1-4,6-7,25H2,(H,39,40)(H2,26,31,41)(H2,27,28,29)/t11-,12-,13+,14+,15+,17+,18+,22+/m0/s1
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| InChIKey |
PLBYMBRPNYRBIZ-RGGOSWGQSA-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