General Information of the Compound
| Compound ID |
CP0434026
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| Compound Name |
2-(4-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
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| Structure |
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| Formula |
C22H17FN2O2
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| Molecular Weight |
360.388
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| Canonical SMILES |
[O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C22H17FN2O2/c23-17-12-10-16(11-13-17)22-21(18-8-4-5-9-20(18)24-22)19(14-25(26)27)15-6-2-1-3-7-15/h1-13,19,24H,14H2
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| InChIKey |
XFHLSVWHPWXTJH-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