General Information of the Compound
| Compound ID |
CP0380226
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| Compound Name |
3-nitro-N-(4-phenylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
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| Structure |
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
[O-][N+](=O)c1ccc2CCC(CCc2c1)NCCCCc1ccccc1
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| InChI |
InChI=1S/C21H26N2O2/c24-23(25)21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22H,4-5,8-10,12-13,15H2
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| InChIKey |
AXPJTEPRVLKIKC-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