General Information of the Compound
| Compound ID |
CP0378935
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| Compound Name |
[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(trifluoromethylsulfonylcarbamoylamino)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate
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| Structure |
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| Formula |
C33H49F3N2O6S
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| Molecular Weight |
658.824
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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(=O)NS(=O)(=O)C(F)(F)F)C1(C)C
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| InChI |
InChI=1S/C33H49F3N2O6S/c1-19(39)44-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(40)17-20-21-18-29(5,15-13-28(21,4)14-16-31(20,32)7)37-26(41)38-45(42,43)33(34,35)36/h17,21,23-25H,9-16,18H2,1-8H3,(H2,37,38,41)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
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| InChIKey |
WAYRKSNQTDOQAT-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