General Information of the Compound
| Compound ID |
CP0212963
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| Compound Name |
(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol
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| Synonyms |
ER beta agonist (BPH), Lilly
Erteberel
LY-500307
Lead estrogen receptor beta agonists (benign prostatic hyperplasia),Eli Lilly
SERBA-1
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| Structure |
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| Formula |
C18H18O3
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| Molecular Weight |
282.339
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| Canonical SMILES |
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
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| InChI |
InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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| InChIKey |
XIESSJVMWNJCGZ-VKJFTORMSA-N
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| CAS |
533884-09-2
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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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Clinical Information about the Compound