General Information of the Compound
| Compound ID |
CP0474631
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| Compound Name |
(1S,2S)-N-((7R,8R)-8-(4-ethylphenylsulfonamido)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylcyclopropanecarboxamide
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| Structure |
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| Formula |
C28H30N2O4S
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| Molecular Weight |
490.625
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc12
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| InChI |
InChI=1S/C28H30N2O4S/c1-2-18-8-13-22(14-9-18)35(33,34)30-27-24-16-21(12-10-20(24)11-15-26(27)31)29-28(32)25-17-23(25)19-6-4-3-5-7-19/h3-10,12-14,16,23,25-27,30-31H,2,11,15,17H2,1H3,(H,29,32)/t23-,25+,26-,27-/m1/s1
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| InChIKey |
RNSWCYRMELRPHU-INVSNAKLSA-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