General Information of the Compound
| Compound ID |
CP0404735
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| Compound Name |
12-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]dodecyl 2-(trimethylazaniumyl)ethyl phosphate
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| Structure |
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| Formula |
C39H58NO5P
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| Molecular Weight |
651.869
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| Canonical SMILES |
C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1
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| InChI |
InChI=1S/C39H58NO5P/c1-32(33-21-16-13-17-22-33)39-27-26-37(41)36(39)31-35(38(39)34-23-18-14-19-24-34)25-15-11-9-7-5-6-8-10-12-20-29-44-46(42,43)45-30-28-40(2,3)4/h13-14,16-19,21-24,36-37,41H,1,5-12,15,20,25-31H2,2-4H3/t36-,37+,39-/m0/s1
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| InChIKey |
SEGOIYZZHBYJCS-UIJXAYEMSA-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