General Information of the Compound
| Compound ID |
CP0407531
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| Compound Name |
1-benzyl-3-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]urea
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| Structure |
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| Formula |
C26H29N3O4S
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| Molecular Weight |
479.602
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)NCc3ccccc3)cc12
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| InChI |
InChI=1S/C26H29N3O4S/c1-2-18-8-13-22(14-9-18)34(32,33)29-25-23-16-21(12-10-20(23)11-15-24(25)30)28-26(31)27-17-19-6-4-3-5-7-19/h3-10,12-14,16,24-25,29-30H,2,11,15,17H2,1H3,(H2,27,28,31)/t24-,25-/m1/s1
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| InChIKey |
RJCHCZQQISICMP-JWQCQUIFSA-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