General Information of the Compound
| Compound ID |
CP0315184
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| Compound Name |
20(R)-20(29)-Epoxybetulinic Acid
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| Structure |
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| Formula |
C30H48O4
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| Molecular Weight |
472.71
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| Canonical SMILES |
C[C@]1(CO1)[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)=O
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| InChI |
InChI=1S/C30H48O4/c1-25(2)20-10-13-28(5)21(26(20,3)12-11-22(25)31)8-7-18-23-19(29(6)17-34-29)9-14-30(23,24(32)33)16-15-27(18,28)4/h18-23,31H,7-17H2,1-6H3,(H,32,33)/t18-,19-,20+,21-,22+,23+,26+,27-,28-,29+,30+/m1/s1
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| InChIKey |
IRWOSRKGAAZBDW-YJNGONBZSA-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