General Information of the Compound
| Compound ID |
CP0882063
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| Compound Name |
(5beta,8alpna,1beta,18beta,19beta)-3-[(Propionyloxy)imino]lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C33H51NO4
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| Molecular Weight |
525.774
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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)CC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
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| InChI |
InChI=1S/C33H51NO4/c1-9-26(35)38-34-25-14-15-30(6)23(29(25,4)5)13-16-32(8)24(30)11-10-22-27-21(20(2)3)12-17-33(27,28(36)37)19-18-31(22,32)7/h21-24,27H,2,9-19H2,1,3-8H3,(H,36,37)/b34-25+/t21-,22+,23-,24+,27+,30-,31+,32+,33-/m0/s1
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| InChIKey |
HLAFNLBVHQQQGB-RXDFSQGKSA-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