General Information of the Compound
| Compound ID |
CP0506965
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| Compound Name |
US8993557, 31
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
Cn1ccc(C(=O)NCc2ccccc2N2CCCC2)c(O)c1=O
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| InChI |
InChI=1S/C18H21N3O3/c1-20-11-8-14(16(22)18(20)24)17(23)19-12-13-6-2-3-7-15(13)21-9-4-5-10-21/h2-3,6-8,11,22H,4-5,9-10,12H2,1H3,(H,19,23)
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| InChIKey |
PGXBPNYXYTULFR-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