General Information of the Compound
| Compound ID |
CP0944748
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| Compound Name |
SID131460627
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| Structure |
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| Formula |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CO)N(C)c3ccc(-c4ccc(C#N)cc4)cc3[C@H]21
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| InChI |
InChI=1S/C27H27N3O4S/c1-29-23-12-11-20(19-9-7-18(16-28)8-10-19)15-22(23)27-21(24(29)17-31)13-14-30(27)35(32,33)26-6-4-3-5-25(26)34-2/h3-12,15,21,24,27,31H,13-14,17H2,1-2H3/t21-,24+,27-/m0/s1
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| InChIKey |
NYTCAOOKEJKECI-WBWMCNGVSA-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