General Information of the Compound
| Compound ID |
CP0288182
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| Compound Name |
(E)-3-(butylthio)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methylene)-2,3-dihydro-1H-inden-5-amine
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| Formula |
C25H32N2O2S
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| Molecular Weight |
424.61
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| Canonical SMILES |
CCCCSC1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C25H32N2O2S/c1-4-5-12-30-25-9-7-18-6-8-21(15-22(18)25)26-17-27-11-10-19-13-23(28-2)24(29-3)14-20(19)16-27/h6,8,13-15,17,25H,4-5,7,9-12,16H2,1-3H3/b26-17+
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| InChIKey |
FRMIPKWMBQUOCY-YZSQISJMSA-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