General Information of the Compound
| Compound ID |
CP0515897
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| Compound Name |
N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
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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)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
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| InChI |
InChI=1S/C19H21N5O2/c25-24(26)18-6-3-14(4-7-18)12-23-9-1-2-17(13-23)21-16-5-8-19-15(10-16)11-20-22-19/h3-8,10-11,17,21H,1-2,9,12-13H2,(H,20,22)
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| InChIKey |
OUOPQLSJLBGMFE-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