General Information of the Compound
| Compound ID |
CP0493177
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| Compound Name |
US9333195, 7
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| Structure |
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| Formula |
C31H36NO3+
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| Molecular Weight |
470.633
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| Canonical SMILES |
CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H36NO3/c1-31(26-12-5-2-6-13-26,27-14-7-3-8-15-27)30(33)35-29-24-32(21-18-25(29)19-22-32)20-11-23-34-28-16-9-4-10-17-28/h2-10,12-17,25,29H,11,18-24H2,1H3/q+1/t25?,29-,32?/m0/s1
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| InChIKey |
SRPFKYGZNVXNMX-KCTUUFLGSA-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