General Information of the Compound
| Compound ID |
CP0577912
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| Compound Name |
US9333195, 127
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| Structure |
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| Formula |
C29H30NO4+
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| Molecular Weight |
456.562
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C29H30NO4/c31-29(28-23-10-4-6-12-25(23)33-26-13-7-5-11-24(26)28)34-27-20-30(16-14-21(27)15-17-30)18-19-32-22-8-2-1-3-9-22/h1-13,21,27-28H,14-20H2/q+1/t21?,27-,30?/m0/s1
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| InChIKey |
OTPXSQUIWWJEOE-SWNSQTJRSA-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