General Information of the Compound
| Compound ID |
CP0003052
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| Compound Name |
US9745291, Compound 8
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
OC(CNC(=O)COc1cccc(c1)C#N)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H23N3O3/c22-11-16-4-3-7-20(10-16)27-15-21(26)23-12-19(25)14-24-9-8-17-5-1-2-6-18(17)13-24/h1-7,10,19,25H,8-9,12-15H2,(H,23,26)
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| InChIKey |
HCTVQCJBLUYBBB-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