General Information of the Compound
| Compound ID |
CP0364796
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| Compound Name |
2-(((1H-indol-2-yl)methyl)(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)amino)acetic acid
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| Structure |
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| Formula |
C30H29N3O4
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| Molecular Weight |
495.579
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cc3ccccc3[nH]2)c1)-c1ccccc1
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| InChI |
InChI=1S/C30H29N3O4/c1-21-27(32-30(37-21)23-9-3-2-4-10-23)14-15-36-26-12-7-8-22(16-26)18-33(20-29(34)35)19-25-17-24-11-5-6-13-28(24)31-25/h2-13,16-17,31H,14-15,18-20H2,1H3,(H,34,35)
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| InChIKey |
YNXRFWZPBMIXCH-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