General Information of the Compound
| Compound ID |
CP0535394
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(naphthalen-2-ylmethoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C21H25N3O11P2
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| Molecular Weight |
557.389
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N/OCc2ccc3ccccc3c2)[nH]c1=O
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| InChI |
InChI=1S/C21H25N3O11P2/c25-18-16(11-34-37(31,32)12-36(28,29)30)35-20(19(18)26)24-8-7-17(22-21(24)27)23-33-10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,16,18-20,25-26H,10-12H2,(H,31,32)(H,22,23,27)(H2,28,29,30)/t16-,18-,19-,20-/m1/s1
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| InChIKey |
LCUHCXJLQXRNMU-VBSBHUPXSA-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase