General Information of the Compound
| Compound ID |
CP0404674
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| Compound Name |
2-[(tert-butoxycarbonyl)amino]ethyl 3-hydroxylup-20(29)-en-28-oate
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| Structure |
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| Formula |
C36H59NO5
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| Molecular Weight |
585.87
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C36H59NO5/c1-22(2)23-13-18-36(29(39)41-21-37-30(40)42-31(3,4)5)20-19-34(9)24(28(23)36)11-12-26-33(8)16-15-27(38)32(6,7)25(33)14-17-35(26,34)10/h23-28,38H,1,11-21H2,2-10H3,(H,37,40)/t23-,24+,25-,26+,27-,28+,33-,34+,35+,36-/m0/s1
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| InChIKey |
WBFVSKTVSBGEKA-JIALFXIZSA-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