General Information of the Compound
| Compound ID |
CP0472420
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| Compound Name |
CHEMBL1836901
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| Formula |
C14H19NO4S
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| Molecular Weight |
297.376
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| Canonical SMILES |
OC[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C14H19NO4S/c16-9-10-7-11-1-2-12(8-10)15(11)20(18,19)14-5-3-13(17)4-6-14/h3-6,10-12,16-17H,1-2,7-9H2/t10-,11-,12+
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| InChIKey |
PJRCWIAFIRVEAJ-CNDDSTCGSA-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: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta