General Information of the Compound
| Compound ID |
CP0438361
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| Compound Name |
(1R,4aS,10aR)-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-6-[[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]sulfamoyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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| Structure |
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| Formula |
C52H60N4O7S
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| Molecular Weight |
885.14
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| Canonical SMILES |
COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCc1cc(C(C)C)c(cc21)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1OC
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| InChI |
InChI=1S/C52H60N4O7S/c1-34(2)38-32-37-26-27-47-51(3,28-17-29-52(47,4)50(59)55-42(30-35-18-9-7-10-19-35)48(57)53-40-22-13-15-24-44(40)62-5)39(37)33-46(38)64(60,61)56-43(31-36-20-11-8-12-21-36)49(58)54-41-23-14-16-25-45(41)63-6/h7-16,18-25,32-34,42-43,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t42-,43-,47-,51-,52-/m1/s1
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| InChIKey |
JIJVWCYWVTUNJB-SVMHEUKPSA-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