General Information of the Compound
| Compound ID |
CP0955955
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| Compound Name |
3-(1-(1-methyl-1H-imidazol-2-yl)-2-nitroethyl)-2-phenyl-1H-indole
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
Cn1ccnc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C20H18N4O2/c1-23-12-11-21-20(23)16(13-24(25)26)18-15-9-5-6-10-17(15)22-19(18)14-7-3-2-4-8-14/h2-12,16,22H,13H2,1H3
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| InChIKey |
HFUHIJICQNMGQK-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