General Information of the Compound
| Compound ID |
CP0848873
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| Compound Name |
(5beta,8alpha,14beta,18beta,19beta)-3-[(Isobutyryloxy)imino]lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C35H55NO4
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| Molecular Weight |
553.828
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| Canonical SMILES |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@]4(C)CC[C@H]5C(C)(C)/C(=N/OC(=O)C(C)C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12
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| InChI |
InChI=1S/C35H55NO4/c1-21(2)23-11-18-35(29(38)39)20-19-34(10)32(8)16-12-24-30(5,6)26(36-40-28(37)22(3)4)14-15-31(24,7)25(32)13-17-33(34,9)27(23)35/h22-25,27H,1,11-20H2,2-10H3,(H,38,39)/b36-26+/t23-,24-,25+,27+,31-,32+,33+,34-,35-/m0/s1
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| InChIKey |
HBHAGGAKHQMZIQ-CXEFEYRHSA-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