General Information of the Compound
| Compound ID |
CP0443579
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| Compound Name |
3-(Isobutyryloxy)lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C34H54O4
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| Molecular Weight |
526.802
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| Canonical SMILES |
CC(C)C(=O)O[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)=O)C(C)=C)C1(C)C
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| InChI |
InChI=1S/C34H54O4/c1-20(2)22-12-17-34(29(36)37)19-18-32(8)23(27(22)34)10-11-25-31(7)15-14-26(38-28(35)21(3)4)30(5,6)24(31)13-16-33(25,32)9/h21-27H,1,10-19H2,2-9H3,(H,36,37)/t22-,23+,24-,25+,26-,27+,31-,32+,33+,34-/m0/s1
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| InChIKey |
OVNHEFOSCNRIIC-WVRTZRCQSA-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