General Information of the Compound
| Compound ID |
CP0463387
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| Compound Name |
US9133168, Example 41d
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| Structure |
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| Formula |
C18H21N5O3
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| Molecular Weight |
355.398
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| Canonical SMILES |
Nn1c(CC(=O)N2CCc3ccccc23)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C18H21N5O3/c19-23-16(20-15(11-18(23)25)21-7-9-26-10-8-21)12-17(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,11H,5-10,12,19H2
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| InChIKey |
OMBNVAHITMKWLB-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