General Information of the Compound
| Compound ID |
CP0194012
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| Compound Name |
(S)-1-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-ylamino]-3-(9H-carbazol-4-yloxy)-propan-2-ol
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| Structure |
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| Formula |
C28H33N3O5S
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| Molecular Weight |
523.655
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C28H33N3O5S/c1-2-3-15-35-22-11-13-23(14-12-22)37(33,34)31-17-20(18-31)29-16-21(32)19-36-27-10-6-9-26-28(27)24-7-4-5-8-25(24)30-26/h4-14,20-21,29-30,32H,2-3,15-19H2,1H3/t21-/m0/s1
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| InChIKey |
PXGAAXILIXQZCL-NRFANRHFSA-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