General Information of the Compound
| Compound ID |
CP0350437
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| Compound Name |
2-(1,3-dihydroisoindol-2-yl)-5-(1-ethylindol-5-yl)-1,3-benzoxazole
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| Synonyms |
Benzoxazole derivative 1
PMID26413912-Compound-83
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| Structure |
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| Formula |
C25H21N3O
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| Molecular Weight |
379.463
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| Canonical SMILES |
CCn1ccc2cc(ccc12)-c1ccc2oc(nc2c1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C25H21N3O/c1-2-27-12-11-19-13-17(7-9-23(19)27)18-8-10-24-22(14-18)26-25(29-24)28-15-20-5-3-4-6-21(20)16-28/h3-14H,2,15-16H2,1H3
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| InChIKey |
JRHOETSWOCHDIA-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
Clinical Information about the Compound
Drug 1 ( Benzoxazole derivative 1 )
| Drug Name | Benzoxazole derivative 1 | ||
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| Company | RENOVIS, INC. KAUB, Carl GOWLUGARI, Sumithra KINCAID, John JOHNSON, Russell, James O'MAHONY, Donogh, John Roger ESTIARTE-MARTINEZ, Maria, de los Angeles DUNCTON, Matthew | ||