General Information of the Compound
| Compound ID |
CP0858246
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| Compound Name |
(5beta,8alpha,14beta,18beta,19beta)-3-[(Benzoyloxy)imino]lup-20(29)-en-28-oic acid
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| Structure |
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| Formula |
C37H51NO4
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| Molecular Weight |
573.818
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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(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
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| InChI |
InChI=1S/C37H51NO4/c1-23(2)25-15-20-37(32(40)41)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(33(3,4)27(34)16-19-36(28,35)7)38-42-31(39)24-11-9-8-10-12-24/h8-12,25-28,30H,1,13-22H2,2-7H3,(H,40,41)/b38-29+/t25-,26+,27-,28+,30+,34-,35+,36+,37-/m0/s1
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| InChIKey |
WZZGLFOOKDEQIB-KROMJTRWSA-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