General Information of the Compound
| Compound ID |
CP0541179
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| Compound Name |
(1R,4aS,10aR)-1,4a-dimethyl-N-[(2R)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-6-[[(2R)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]sulfamoyl]-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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| Structure |
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| Formula |
C52H60N4O5S
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| Molecular Weight |
853.142
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| Canonical SMILES |
CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1
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| InChI |
InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-22-27-47-51(5,28-13-29-52(47,6)50(59)55-44(30-37-14-9-7-10-15-37)48(57)53-40-23-18-35(3)19-24-40)43(39)33-46(42)62(60,61)56-45(31-38-16-11-8-12-17-38)49(58)54-41-25-20-36(4)21-26-41/h7-12,14-21,23-26,32-34,44-45,47,56H,13,22,27-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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| InChIKey |
VOYLXDWNTDEMMJ-FPXNKKITSA-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