General Information of the Compound
| Compound ID |
CP0502728
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| Compound Name |
CHEMBL374994
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| Formula |
C28H37N3O4
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| Molecular Weight |
479.621
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H37N3O4/c1-28(2,3)22-13-15-24(16-14-22)31(27(35)30-23-7-5-4-6-8-23)19-20-9-11-21(12-10-20)26(34)29-18-17-25(32)33/h4-12,22,24H,13-19H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)/t22-,24-
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| InChIKey |
QXKZDLUHCGWZOX-HCGLCNNCSA-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