General Information of the Compound
| Compound ID |
CP0389671
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| Compound Name |
5-[9-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C25H24FN5O
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| Molecular Weight |
429.499
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CCCc3nc4ccc(F)cc4[nH]3)c3CCCCc3c2c1
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| InChI |
InChI=1S/C25H24FN5O/c1-15-27-25(32-30-15)16-8-11-23-19(13-16)18-5-2-3-6-22(18)31(23)12-4-7-24-28-20-10-9-17(26)14-21(20)29-24/h8-11,13-14H,2-7,12H2,1H3,(H,28,29)
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| InChIKey |
JMLCWQHQLCPWBU-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