General Information of the Compound
| Compound ID |
CP0930242
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| Compound Name |
3-(((3-(((R)-2-Amino-3-methylbutanoyl)oxy)propoxy)((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphoryl)oxy)propyl (4R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
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| Structure |
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| Formula |
C43H71N6O10P
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| Molecular Weight |
863.047
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| Canonical SMILES |
CC(C)[C@@H](N)C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C43H71N6O10P/c1-27(2)37(44)41(53)57-18-7-20-59-60(54,26-55-21-16-49-25-48-38-39(45)46-24-47-40(38)49)58-19-6-17-56-35(52)11-8-28(3)31-9-10-32-36-33(13-15-43(31,32)5)42(4)14-12-30(50)22-29(42)23-34(36)51/h24-25,27-34,36-37,50-51H,6-23,26,44H2,1-5H3,(H2,45,46,47)/t28-,29+,30-,31-,32+,33+,34+,36+,37-,42+,43-,60?/m1/s1
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| InChIKey |
FABQFRRNRUAXEP-VDYCEELESA-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