General Information of the Compound
| Compound ID |
CP0057612
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| Compound Name |
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
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| Synonyms |
148672-09-7
3-((Aminosulfonyl)oxy)estra-1,3,5(10)-trien-17-one
3-[(Aminosulfonyl)oxy]estra-1,3,5(10)-trien-17-one
AC1L2SFZ
AKOS030241107
BDBM50134329
C18H23NO4S
CHEMBL122708
CTK8F0296
EMATE
Emate compound
Estra-1,3,5(10)-trien-17-one, 3-((aminosulfonyl)oxy)-
Estra-1,3,5(10)-trien-17-one-3-sulfamate
Estrone 3-O-Sulfamate
Estrone 3-Sulfamate
Estrone O-Sulfamate
Estrone Sulfamate
Estrone-3-O-sulfamate
NSC685426
Oestrone-3-O-sulphamate
RVKFQAJIXCZXQY-CBZIJGRNSA-N
SCHEMBL305660
ZINC5832614
estrone3-O-sulfamate
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| Structure |
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| Formula |
C18H23NO4S
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| Molecular Weight |
349.452
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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| InChIKey |
RVKFQAJIXCZXQY-CBZIJGRNSA-N
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| CAS |
148672-09-7
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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: PT01689, Steryl-sulfatase
Cell-based Assay
Clinical Information about the Compound