General Information of the Compound
| Compound ID |
CP0440068
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| Compound Name |
CHEMBL4578901
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
CCc1nc(C)c(o1)C(=O)Nc1ccc(nc1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C26H29N3O4/c1-3-23-28-16(2)25(33-23)26(32)29-21-12-13-22(27-15-21)20-10-8-19(9-11-20)18-6-4-17(5-7-18)14-24(30)31/h8-13,15,17-18H,3-7,14H2,1-2H3,(H,29,32)(H,30,31)/t17-,18-
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| InChIKey |
RGZGIPKMQXYVRG-IYARVYRRSA-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