General Information of the Compound
| Compound ID |
CP0210858
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| Compound Name |
CHEMBL4439500
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| Formula |
C17H19N3O4
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| Molecular Weight |
329.356
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| Canonical SMILES |
Oc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C17H19N3O4/c21-14-13(19-17(24)20-16(14)23)15(22)18-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12,21H,6-9H2,(H,18,22)(H2,19,20,23,24)/t11-,12+
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| InChIKey |
AJPWVXCQXANIRP-TXEJJXNPSA-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