General Information of the Compound
| Compound ID |
CP0508494
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| Compound Name |
4-[3-(diethylaminomethyl)-1-octylindol-5-yl]benzonitrile
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| Structure |
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| Formula |
C28H37N3
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| Molecular Weight |
415.625
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H37N3/c1-4-7-8-9-10-11-18-31-22-26(21-30(5-2)6-3)27-19-25(16-17-28(27)31)24-14-12-23(20-29)13-15-24/h12-17,19,22H,4-11,18,21H2,1-3H3
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| InChIKey |
ODUMQQDSVNWLDI-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