General Information of the Compound
| Compound ID |
CP0864558
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| Compound Name |
SID144188544
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| Structure |
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| Formula |
C28H32N2O4S
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| Molecular Weight |
492.641
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| Canonical SMILES |
O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H](CO)N12
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| InChI |
InChI=1S/C28H32N2O4S/c31-19-26-28(24-15-13-22(14-16-24)12-6-11-21-7-4-5-8-21)25-17-29(18-27(32)30(25)26)35(33,34)20-23-9-2-1-3-10-23/h1-3,9-10,13-16,21,25-26,28,31H,4-5,7-8,11,17-20H2/t25-,26-,28-/m1/s1
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| InChIKey |
FAKBSTMJPBVDML-STROYTFGSA-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