General Information of the Compound
| Compound ID |
CP0970369
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| Compound Name |
(2S)-2-amino-4-[5-[6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2H-1,3,5-triazin-1-yl]pentyl-[[(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 |
C27H43N11O9
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| Molecular Weight |
665.709
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| Canonical SMILES |
NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1CCCCCN(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/C27H43N11O9/c28-14(25(43)44)4-7-35(9-16-20(41)21(42)24(47-16)37-12-33-19-22(29)31-11-32-23(19)37)5-2-1-3-6-36-13-38(27(45)34-26(36)30)18-8-15(40)17(10-39)46-18/h11-12,14-18,20-21,24,39-42H,1-10,13,28H2,(H,43,44)(H2,29,31,32)(H2,30,34,45)/t14-,15-,16+,17+,18+,20+,21+,24+/m0/s1
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| InChIKey |
GLLXEDALUPILCC-ZMQIOLJVSA-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