General Information of the Compound
| Compound ID |
CP0409944
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| Compound Name |
US10517849, Compound 11
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| Structure |
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| Formula |
C23H34N2O
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| Molecular Weight |
354.538
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCO)CC2
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| InChI |
InChI=1S/C23H34N2O/c1-2-19(14-18-6-4-3-5-7-18)21-15-22(21)24-20-16-23(17-20)8-10-25(11-9-23)12-13-26/h3-7,14,20-22,24,26H,2,8-13,15-17H2,1H3/b19-14+/t21-,22+/m0/s1
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| InChIKey |
WNPFGIFEKPKWMQ-ISHKIFBASA-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