General Information of the Compound
| Compound ID |
CP0895076
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| Compound Name |
N7-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diamine
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| Structure |
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| Formula |
C18H22N2
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| Molecular Weight |
266.388
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| Canonical SMILES |
Nc1ccc2c(c1)CCC(NCc1ccccc1)CC2
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| InChI |
InChI=1S/C18H22N2/c19-17-9-6-15-7-10-18(11-8-16(15)12-17)20-13-14-4-2-1-3-5-14/h1-6,9,12,18,20H,7-8,10-11,13,19H2
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| InChIKey |
GFXBTMVAARGHHB-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