General Information of the Compound
| Compound ID |
CP0375557
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| Compound Name |
3-hydroxy-N-(4-hydroxybutyl)lup-20(29)-en-28-amide
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| Structure |
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| Formula |
C35H59NO3
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| Molecular Weight |
541.861
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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)NCCCCCO
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| InChI |
InChI=1S/C35H59NO3/c1-23(2)24-13-18-35(30(39)36-21-9-8-10-22-37)20-19-33(6)25(29(24)35)11-12-27-32(5)16-15-28(38)31(3,4)26(32)14-17-34(27,33)7/h24-29,37-38H,1,8-22H2,2-7H3,(H,36,39)/t24-,25+,26-,27+,28-,29+,32-,33+,34+,35-/m0/s1
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| InChIKey |
ROBFCSJGARFPKR-KNGBOHGISA-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