General Information of the Compound
| Compound ID |
CP0519783
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| Compound Name |
(4bS,8R,8aR)-8-[[(2S)-1-(4-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonic acid
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| Structure |
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| Formula |
C36H44N2O6S
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| Molecular Weight |
632.823
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| Canonical SMILES |
COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]2CCc2cc(C(C)C)c(cc32)S(O)(=O)=O)cc1
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| InChI |
InChI=1S/C36H44N2O6S/c1-23(2)28-21-25-12-17-32-35(3,29(25)22-31(28)45(41,42)43)18-9-19-36(32,4)34(40)38-30(20-24-10-7-6-8-11-24)33(39)37-26-13-15-27(44-5)16-14-26/h6-8,10-11,13-16,21-23,30,32H,9,12,17-20H2,1-5H3,(H,37,39)(H,38,40)(H,41,42,43)/t30-,32+,35+,36+/m0/s1
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| InChIKey |
HJAJLQNQOHYBMP-IVXDXFGKSA-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