General Information of the Compound
| Compound ID |
CP0907414
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| Compound Name |
SID131462625
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| Structure |
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| Formula |
C27H34N2O4S
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| Molecular Weight |
482.646
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H]3CO)cc1
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| InChI |
InChI=1S/C27H34N2O4S/c1-20(2)6-7-21-8-10-22(11-9-21)27-25-18-28(16-4-5-17-29(25)26(27)19-30)34(31,32)24-14-12-23(33-3)13-15-24/h8-15,20,25-27,30H,4-5,16-19H2,1-3H3/t25-,26+,27-/m1/s1
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| InChIKey |
LTCKXKPUWWMYLE-KWXIBIRDSA-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