General Information of the Compound
| Compound ID |
CP0413618
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| Compound Name |
US9333195, 1
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| Structure |
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| Formula |
C30H34NO3+
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| Molecular Weight |
456.606
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| Canonical SMILES |
O=C(O[C@@H]1CC2CC[N+]1(CCCOc1ccccc1)CC2)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H34NO3/c32-30(29(25-11-4-1-5-12-25)26-13-6-2-7-14-26)34-28-23-24-17-20-31(28,21-18-24)19-10-22-33-27-15-8-3-9-16-27/h1-9,11-16,24,28-29H,10,17-23H2/q+1/t24?,28-,31?/m1/s1
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| InChIKey |
VZCLCKQUGUCPTO-NFVORSKWSA-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