General Information of the Compound
| Compound ID |
CP0383728
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| Compound Name |
US9296728, 22
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| Structure |
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| Formula |
C16H19NO4
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| Molecular Weight |
289.331
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| Canonical SMILES |
CCCN(CCC)c1ccc2cc(C(O)=O)c(=O)oc2c1
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| InChI |
InChI=1S/C16H19NO4/c1-3-7-17(8-4-2)12-6-5-11-9-13(15(18)19)16(20)21-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
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| InChIKey |
HUMXOCRYJWDWNY-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