General Information of the Compound
| Compound ID |
CP0214273
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| Compound Name |
(2S,3R)-2-[4-(2-Cycloheptylamino-ethoxy)-phenyl]-3-(3-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol
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| Structure |
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| Formula |
C29H33NO4S
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| Molecular Weight |
491.653
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| Canonical SMILES |
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCNC2CCCCCC2)cc1
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| InChI |
InChI=1S/C29H33NO4S/c31-23-9-5-6-21(18-23)29-28(34-26-15-12-24(32)19-27(26)35-29)20-10-13-25(14-11-20)33-17-16-30-22-7-3-1-2-4-8-22/h5-6,9-15,18-19,22,28-32H,1-4,7-8,16-17H2/t28-,29+/m0/s1
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| InChIKey |
HAPHHDHJYACFIS-URLMMPGGSA-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