General Information of the Compound
| Compound ID |
CP0374726
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| Compound Name |
(3beta,18beta,20beta)-3-Hydroxy-N-methoxy-11-oxo-olean-12-en-29-amide
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| Structure |
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| Formula |
C31H49NO4
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| Molecular Weight |
499.736
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| Canonical SMILES |
CONC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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| InChI |
InChI=1S/C31H49NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)34)21(33)17-19-20-18-28(4,25(35)32-36-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,34H,9-16,18H2,1-8H3,(H,32,35)/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
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| InChIKey |
KZVTVRBLIPGVFA-BDANYOJNSA-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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2