General Information of the Compound
| Compound ID |
CP0376310
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| Compound Name |
8-Dipropylaminomethyl-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
CCCN(CCC)CC1CCc2ccc3[nH]cc(C=O)c3c2C1
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| InChI |
InChI=1S/C20H28N2O/c1-3-9-22(10-4-2)13-15-5-6-16-7-8-19-20(18(16)11-15)17(14-23)12-21-19/h7-8,12,14-15,21H,3-6,9-11,13H2,1-2H3
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| InChIKey |
FOBZHDPRCOTEEO-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