General Information of the Compound
| Compound ID |
CP0464974
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| Compound Name |
US8969358, 127
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| Structure |
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| Formula |
C25H34N2O5S
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| Molecular Weight |
474.623
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNS(C)(=O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C25H34N2O5S/c1-31-25-8-7-23(12-17(25)13-26-33(2,29)30)19-11-16-5-6-18(28)21-20(16)24(23,22(25)32-21)9-10-27(19)14-15-3-4-15/h5-6,15,17,19,22,26,28H,3-4,7-14H2,1-2H3/t17-,19-,22-,23-,24+,25-/m1/s1
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| InChIKey |
SOTLTGGECWUXMX-ZDHACIKZSA-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