General Information of the Compound
| Compound ID |
CP0488638
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| Compound Name |
CHEMBL1213161
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| Formula |
C17H35N2O22P3
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| Molecular Weight |
712.381
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| Canonical SMILES |
O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/m0/s1
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| InChIKey |
LSLGFOPEQVZRFS-DOQYSHEDSA-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