General Information of the Compound
| Compound ID |
CP0486072
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| Compound Name |
US9333195, 84
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| Structure |
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| Formula |
C26H30NO4S2+
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| Molecular Weight |
484.663
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C26H30NO4S2/c28-25(26(29,23-8-4-16-32-23)24-9-5-17-33-24)31-22-18-27(12-10-21(22)11-13-27)14-15-30-19-20-6-2-1-3-7-20/h1-9,16-17,21-22,29H,10-15,18-19H2/q+1/t21?,22-,27?/m0/s1
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| InChIKey |
NETKUYSZWVBUQE-ZVOVCPRUSA-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