General Information of the Compound
| Compound ID |
CP0884737
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| Compound Name |
4-heptyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide
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| Structure |
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| Formula |
C19H31BrN2
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| Molecular Weight |
367.375
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| Canonical SMILES |
Br.CCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2
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| InChI |
InChI=1S/C19H30N2.BrH/c1-2-3-4-5-8-14-21-17-12-7-6-10-15(17)19(20)16-11-9-13-18(16)21;/h20H,2-14H2,1H3;1H
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| InChIKey |
OOJPLVZRYCGZCN-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8