General Information of the Compound
| Compound ID |
CP0410268
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| Compound Name |
(4bS,8R,8aR)-8-[[(2S)-1-(3-fluoroanilino)-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 |
C35H41FN2O5S
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| Molecular Weight |
620.787
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| Canonical SMILES |
CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1S(O)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1
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| InChI |
InChI=1S/C35H41FN2O5S/c1-22(2)27-19-24-14-15-31-34(3,28(24)21-30(27)44(41,42)43)16-9-17-35(31,4)33(40)38-29(18-23-10-6-5-7-11-23)32(39)37-26-13-8-12-25(36)20-26/h5-8,10-13,19-22,29,31H,9,14-18H2,1-4H3,(H,37,39)(H,38,40)(H,41,42,43)/t29-,31+,34+,35+/m0/s1
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| InChIKey |
ZZNMULOFGCUNEW-VFJHMURJSA-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