General Information of the Compound
| Compound ID |
CP0180724
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| Compound Name |
5-methyl-8-nitrospiro[1,2,4,5-tetrahydro-2-benzazepine-3,1'-cyclopentane]
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| Structure |
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| Formula |
C15H20N2O2
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| Molecular Weight |
260.337
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| Canonical SMILES |
CC1CC2(CCCC2)NCc2cc(ccc12)[N+]([O-])=O
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| InChI |
InChI=1S/C15H20N2O2/c1-11-9-15(6-2-3-7-15)16-10-12-8-13(17(18)19)4-5-14(11)12/h4-5,8,11,16H,2-3,6-7,9-10H2,1H3
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| InChIKey |
CTJWWKKHMRXOJA-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