General Information of the Compound
| Compound ID |
CP0882059
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| Compound Name |
3-[(Acetyloxy)imino]lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C32H49NO4
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| Molecular Weight |
511.747
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| Canonical SMILES |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
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| InChI |
InChI=1S/C32H49NO4/c1-19(2)21-11-16-32(27(35)36)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(33-37-20(3)34)28(4,5)23(29)12-15-31(24,30)8/h21-24,26H,1,9-18H2,2-8H3,(H,35,36)/b33-25+/t21-,22+,23-,24+,26+,29-,30+,31+,32-/m0/s1
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| InChIKey |
XBPDFVMADWKTMO-IHZBAJIYSA-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