General Information of the Compound
| Compound ID |
CP0427230
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| Compound Name |
(1R,4aS,10aR)-1,4a-dimethyl-N-[(2R)-1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]-6-[[(2R)-1-(2-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)Nc1ccccc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C52H60N4O5S/c1-34(2)40-32-39-26-27-47-51(5,28-17-29-52(47,6)50(59)55-44(30-37-20-9-7-10-21-37)48(57)53-42-24-15-13-18-35(42)3)41(39)33-46(40)62(60,61)56-45(31-38-22-11-8-12-23-38)49(58)54-43-25-16-14-19-36(43)4/h7-16,18-25,32-34,44-45,47,56H,17,26-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1
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| InChIKey |
GZXCOTIIWVSSDZ-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