General Information of the Compound
| Compound ID |
CP0391481
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| Compound Name |
[(2R)-3-[8-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]octanoyloxy]-2-propanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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| Structure |
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| Formula |
C41H58NO9P
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| Molecular Weight |
739.887
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| Canonical SMILES |
CCC(=O)O[C@H](COC(=O)CCCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1)COP([O-])(=O)OCC[N+](C)(C)C
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| InChI |
InChI=1S/C41H58NO9P/c1-6-38(44)51-35(30-50-52(46,47)49-27-26-42(3,4)5)29-48-39(45)23-17-9-7-8-12-22-34-28-36-37(43)24-25-41(36,31(2)32-18-13-10-14-19-32)40(34)33-20-15-11-16-21-33/h10-11,13-16,18-21,35-37,43H,2,6-9,12,17,22-30H2,1,3-5H3/t35-,36+,37-,41+/m1/s1
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| InChIKey |
OTUSFJFTQLHFPS-HHSGCNHTSA-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