General Information of the Compound
| Compound ID |
CP0097771
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| Compound Name |
US9296741, 352
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| Structure |
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| Formula |
C18H19N3O
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| Molecular Weight |
293.37
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| Canonical SMILES |
Cn1cc(-c2ccccc2NCC2CC2)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C18H19N3O/c1-21-11-15(14-8-9-19-17(14)18(21)22)13-4-2-3-5-16(13)20-10-12-6-7-12/h2-5,8-9,11-12,19-20H,6-7,10H2,1H3
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| InChIKey |
MRCQYKPXQDZOEG-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