General Information of the Compound
| Compound ID |
CP0499057
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| Compound Name |
(3beta,18beta,20beta)-N-[-3-(Acetoxy)-11-oxo-30-norolean-12-en-20-yl]urea
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| Structure |
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| Formula |
C32H50N2O4
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| Molecular Weight |
526.762
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)NC(N)=O)C1(C)C
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| InChI |
InChI=1S/C32H50N2O4/c1-19(35)38-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(36)17-20-21-18-29(5,34-26(33)37)15-13-28(21,4)14-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H3,33,34,37)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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| InChIKey |
WBHDMKZEFCLSRV-XWEVEMRCSA-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