General Information of the Compound
| Compound ID |
CP0035115
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| Compound Name |
(E)-6-((benzyl(methyl)amino)methyleneamino)-2,3-dihydro-1H-inden-1-yl acetate
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1
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| InChI |
InChI=1S/C20H22N2O2/c1-15(23)24-20-11-9-17-8-10-18(12-19(17)20)21-14-22(2)13-16-6-4-3-5-7-16/h3-8,10,12,14,20H,9,11,13H2,1-2H3/b21-14+
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| InChIKey |
LGWSPIADNFUMJB-KGENOOAVSA-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