General Information of the Compound
| Compound ID |
CP0930240
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| Compound Name |
3-((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(3-(((R)-2-aminopropanoyl)oxy)propoxy)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 |
C41H67N6O10P
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| Molecular Weight |
834.993
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| Canonical SMILES |
C[C@H](CCC(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)N)[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/C41H67N6O10P/c1-26(30-8-9-31-35-32(12-14-41(30,31)4)40(3)13-11-29(48)21-28(40)22-33(35)49)7-10-34(50)54-16-5-18-56-58(52,57-19-6-17-55-39(51)27(2)42)25-53-20-15-47-24-46-36-37(43)44-23-45-38(36)47/h23-24,26-33,35,48-49H,5-22,25,42H2,1-4H3,(H2,43,44,45)/t26-,27-,28+,29-,30-,31+,32+,33+,35+,40+,41-,58?/m1/s1
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| InChIKey |
RBXZBZPCULFAGF-UTPCKWJVSA-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