General Information of the Compound
| Compound ID |
CP0561741
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| Compound Name |
N-[2,7-bis(furan-2-yl)-1,3-benzoxazol-5-yl]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
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| Structure |
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| Formula |
C27H23N3O4
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| Molecular Weight |
453.498
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| Canonical SMILES |
O=C(CCN1CCc2ccccc2C1)Nc1cc(-c2ccco2)c2oc(nc2c1)-c1ccco1
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| InChI |
InChI=1S/C27H23N3O4/c31-25(10-12-30-11-9-18-5-1-2-6-19(18)17-30)28-20-15-21(23-7-3-13-32-23)26-22(16-20)29-27(34-26)24-8-4-14-33-24/h1-8,13-16H,9-12,17H2,(H,28,31)
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| InChIKey |
YPHPMZXEJNUQSP-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