General Information of the Compound
| Compound ID |
CP0012865
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| Compound Name |
US9745291, Compound 116
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| Structure |
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| Formula |
C24H31N3O3
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| Molecular Weight |
409.53
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| Canonical SMILES |
OC(CNC(=O)COc1ccccc1C1CCNC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H31N3O3/c28-21(16-27-12-10-18-5-1-2-6-20(18)15-27)14-26-24(29)17-30-23-8-4-3-7-22(23)19-9-11-25-13-19/h1-8,19,21,25,28H,9-17H2,(H,26,29)
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| InChIKey |
CBBXJLGNZOFOSD-UHFFFAOYSA-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