General Information of the Compound
| Compound ID |
CP0404855
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| Compound Name |
5-[3-(diethylaminomethyl)-1-octylindol-5-yl]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C26H35N5
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| Molecular Weight |
417.601
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1cnc(nc1)C#N
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| InChI |
InChI=1S/C26H35N5/c1-4-7-8-9-10-11-14-31-20-23(19-30(5-2)6-3)24-15-21(12-13-25(24)31)22-17-28-26(16-27)29-18-22/h12-13,15,17-18,20H,4-11,14,19H2,1-3H3
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| InChIKey |
GTGXNMDJBPTBRB-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