General Information of the Compound
| Compound ID |
CP0493011
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| Compound Name |
CHEMBL1213159
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| Formula |
C30H64N2O39P6
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| Molecular Weight |
1262.661
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| Canonical SMILES |
O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=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](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)O)[C@@H]1OP(O)(O)=O
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| InChI |
InChI=1S/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
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| InChIKey |
PAQMDIZSFMIAAJ-QQQHVOGSSA-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