General Information of the Compound
| Compound ID |
CP0960750
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| Compound Name |
3-(2-nitro-1-phenylethyl)-2-(1H-pyrazol-3-yl)-1H-indole
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| Structure |
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| Formula |
C19H16N4O2
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| Molecular Weight |
332.363
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccn[nH]2)[nH]c2ccccc12
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| InChI |
InChI=1S/C19H16N4O2/c24-23(25)12-15(13-6-2-1-3-7-13)18-14-8-4-5-9-16(14)21-19(18)17-10-11-20-22-17/h1-11,15,21H,12H2,(H,20,22)
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| InChIKey |
AGNBVWJDYRFJDF-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