General Information of the Compound
| Compound ID |
CP0572447
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| Compound Name |
US9333195, 8
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| Structure |
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| Formula |
C28H32NO4S+
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| Molecular Weight |
478.634
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1
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| InChI |
InChI=1S/C28H32NO4S/c30-27(28(31,26-13-7-20-34-26)23-9-3-1-4-10-23)33-25-21-29(17-14-22(25)15-18-29)16-8-19-32-24-11-5-2-6-12-24/h1-7,9-13,20,22,25,31H,8,14-19,21H2/q+1/t22?,25-,28?,29?/m0/s1
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| InChIKey |
PMSLDIHTDBABLG-GLJSPKRASA-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