General Information of the Compound
| Compound ID |
CP0452442
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| Compound Name |
Benzyl 3-Methoxylup-20(29)-en-28-oate
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| Structure |
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| Formula |
C38H56O3
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| Molecular Weight |
560.863
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)OCc2ccccc2)C(C)=C)C1(C)C
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| InChI |
InChI=1S/C38H56O3/c1-25(2)27-16-21-38(33(39)41-24-26-12-10-9-11-13-26)23-22-36(6)28(32(27)38)14-15-30-35(5)19-18-31(40-8)34(3,4)29(35)17-20-37(30,36)7/h9-13,27-32H,1,14-24H2,2-8H3/t27-,28+,29-,30+,31-,32+,35-,36+,37+,38-/m0/s1
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| InChIKey |
MLQQNAZOEQXOJB-FSLXGGOMSA-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