General Information of the Compound
| Compound ID |
CP0577770
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| Compound Name |
US9249096, 265
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| Structure |
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| Formula |
C16H21N3O4
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| Molecular Weight |
319.361
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| Canonical SMILES |
CCN1CC(C(=O)NCCCc2cccc(OC)n2)=C(O)C1=O
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| InChI |
InChI=1S/C16H21N3O4/c1-3-19-10-12(14(20)16(19)22)15(21)17-9-5-7-11-6-4-8-13(18-11)23-2/h4,6,8,20H,3,5,7,9-10H2,1-2H3,(H,17,21)
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| InChIKey |
DOJAFXZQIFXNTP-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