General Information of the Compound
| Compound ID |
CP0464400
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| Compound Name |
5-((3-(3-(prop-1-en-2-yl)benzyl)cyclohexyl)methyl)-1H-indene
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| Structure |
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| Formula |
C19H21N5O2
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| Molecular Weight |
351.41
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| Canonical SMILES |
[O-][N+](=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
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| InChI |
InChI=1S/C19H21N5O2/c25-24(26)18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21H,2,4,8,12-13H2,(H,20,22)
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| InChIKey |
ZGCMTTQGRJYCEP-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