General Information of the Compound
| Compound ID |
CP0529677
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| Compound Name |
5-[3-(diethylaminomethyl)-1-octylindol-5-yl]-N,N-dimethylpyridin-2-amine
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| Structure |
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| Formula |
C28H42N4
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| Molecular Weight |
434.672
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| Canonical SMILES |
CCCCCCCCn1cc(CN(CC)CC)c2cc(ccc12)-c1ccc(nc1)N(C)C
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| InChI |
InChI=1S/C28H42N4/c1-6-9-10-11-12-13-18-32-22-25(21-31(7-2)8-3)26-19-23(14-16-27(26)32)24-15-17-28(29-20-24)30(4)5/h14-17,19-20,22H,6-13,18,21H2,1-5H3
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| InChIKey |
AESUMZVPDCXARG-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